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Shanghai Yingxuan Chempharm Co., Ltd.

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Address: Shanghai Jiao Tong University(SJTU) Jin Qiao Science Park,No.2588,Jinhai Road,Pudong New District, Shanghai, Pudong 201209, China
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Profile: Shanghai Yingxuan Chempharm Co., Ltd. is a manufacturer of glyco-compounds, heterocyclic compounds, amino acids, peptides, alkaloids, and various drug intermediates.

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• MISOPROSTOL ACID
IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid | CAS Registry Number: 112137-89-0
Synonyms: Misoprostol acid, Misoprostol free acid, SC 30695, 15-Deoxy-16-hydroxy-16-methylprostaglandin E1, 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid, AC1O5LLW, SureCN3694237, BSPBio_001418, misoprostol (free acid form), M6932_SIGMA, MISOPROSTOL, FREE ACID, BML2-B06, HMS1361G20, HMS1791G20, HMS1989G20, IDI1_033888, NCGC00161305-01, NCGC00161305-02, NCGC00161305-03, FT-0672418

Molecular Formula: C21H36O5Molecular Weight: 368.507540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CNWGPXZGIIOYDL-MKYGPDKMSA-N

• Molsidomine
IUPAC Name: 1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate | CAS Registry Number: 25717-80-0
Synonyms: molsidomine, Molsidolat, Corvaton, morsydomine, Motazomin, Morial, Molsidomin, Sydnopharm, Korvatone, Prestwick_863, Molsidominum [INN-Latin], Molsidomina [INN-Spanish], Prestwick3_000547, Lopac-M-2901, SIN-10, BSPBio_000593, MLS000028573, MLS001146942, MLS002153869, SPECTRUM1500673

Molecular Formula: C9H14N4O4Molecular Weight: 242.231860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XLFWDASMENKTKL-UHFFFAOYSA-N

• Monocrotaline
Synonyms: monocrotaline, Monocrotalin, Crotaline, Testosterone oenanthate, Prestwick_338, Pyrrolizidine alkaloid, Spectrum_001224, Prestwick0_000603, Prestwick1_000603, Prestwick2_000603, Prestwick3_000603, Spectrum2_000906, Spectrum3_000947, Spectrum4_001057, Spectrum5_001233, CCRIS 416, BSPBio_000506, KBioGR_001354, KBioSS_001704, HSDB 3513

Molecular Formula: C16H23NO6Molecular Weight: 325.356920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: QVCMHGGNRFRMAD-XFGHUUIASA-N

• Motesanib
IUPAC Name: N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide | CAS Registry Number: 453562-69-1
Synonyms: AMG 706, CHEBI:51098, AMG-706, D06678, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide, N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide

Molecular Formula: C22H23N5OMolecular Weight: 373.450920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: RAHBGWKEPAQNFF-UHFFFAOYSA-N

• Motesanib Diphosphate
IUPAC Name: N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;phosphoric acid | CAS Registry Number: 857876-30-3
Synonyms: Motesanib diphosphate, AMG-706, S1032_Selleck, Motesanib diphosphate (USAN), Motesanib diphosphate [USAN], UNII-T6Q3060U91, AMG-706. Motesanib Diphosphate, AMG706, D08947, Motesanib phosphate (JAN), cc-524, motesanib; bis(phosphoric acid), CHEMBL2107357, MolPort-016-633-170, ABP000867, DCL000579, CS-0193, RL05311, HY-10229, FT-0672543

Molecular Formula: C22H29N5O9P2Molecular Weight: 569.441284 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 13

InChIKey: ONDPWWDPQDCQNJ-UHFFFAOYSA-N

• Myricetin
IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one | CAS Registry Number: 529-44-2
Synonyms: myricetin, Cannabiscetin, Myricetol, Myricitin, Prestwick_342, Spectrum_001501, SpecPlus_000531, Prestwick0_000465, Prestwick1_000465, Prestwick2_000465, Prestwick3_000465, Spectrum4_001272, Spectrum5_000692, Lopac-M-6760, 3,3',4',5,5',7-Hexahydroxyflavone, 3,5,7,3',4',5'-Hexahydroxyflavone, CCRIS 5838, Lopac0_000740, BSPBio_000570, KBioGR_001884

Molecular Formula: C15H10O8Molecular Weight: 318.235100 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-N

• N'-[2-[2-(4-METHOXYPHENYL)VINYL]-4-QUINAZOLINYL]-N,N-DIMETHYL-1,3-PROPANEDIAMINE 2HCL
IUPAC Name: N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine | CAS Registry Number: 259199-65-0
Synonyms: CHEBI:411760, CP 31398, CP-31398, CID9950868, CP-31,398, C402665, N'-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N,N-dimethyl-propane-1,3-diamine, N''-{2-[(E)-2-(4-Methoxy-phenyl)-vinyl]-quinazolin-4-yl}-N,N-dimethyl-propane-1,3-diamine

Molecular Formula: C22H26N4OMolecular Weight: 362.468040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NIHSNFSFDGHHRG-SDNWHVSQSA-N

• N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
IUPAC Name: N-[[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide | CAS Registry Number: 875337-44-3
Synonyms: MGCD-265, MGCD265, MGCD 265, MGCD265, MGCD-265, MGCD265, MGCD-265, n-(3-fluoro-4-(2-(1-methyl-1h-imidazol-4-yl)thieno(3,2-b)pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide, S1361_Selleck, cc-38, CHEMBL254760, BCPP000164, AKOS015904513, BCP9000924, CS-0188, RL05449, MGCD-265-Supplied by Selleck Chemicals, NCGC00346510-01, HY-10991, KB-55721, thieno[3,2-b]pyridine-based inhibitor, 10a, X7487

Molecular Formula: C26H20FN5O2S2Molecular Weight: 517.597703 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: UFICVEHDQUKCEA-UHFFFAOYSA-N

• N-(phenylmethyl)-2-(4-pyrimidinylamino)-4-Thiazolecarboxamide
IUPAC Name: N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide | CAS Registry Number: 1226056-71-8
Synonyms: Thiazovivin, N-benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide, S1459_Selleck, PubChem24336, cc-22, CTK4B3173, MolPort-009-199-421, Thiazovivin|1226056-71-8, AKOS016010502, AG-I-03472, CS-0468, QC-4348, RL01032, NCGC00187983-01, AK117147, HY-13257, KB-57682, Thiazovivin-Supplied by Selleck Chemicals, FT-0675156, X7616

Molecular Formula: C15H13N5OSMolecular Weight: 311.361620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: DOBKQCZBPPCLEG-UHFFFAOYSA-N

• N-[2-Chloro-4-[(6,7-Dimethoxy-4-Quinolyl)oxy]phenyl]-N'-(5-Methyl-3-Isoxazolyl)urea
IUPAC Name: 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea | CAS Registry Number: 475108-18-0
Synonyms: Tivozanib, AV 951, AV-951, AV951, KRN-951, N-[2-CHLORO-4-[(6,7-DIMETHOXY-4-QUINOLYL)OXY]PHENYL]-N'-(5-METHYL-3-ISOXAZOLYL)UREA, AV-951(Tivozanib), AV951, AV-951, 475108-18-0, Tivozanib, AV951, AV-951, Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitor IV, 1-(2-CHLORO-4-(6,7-DIMETHOXYQUINOLIN-4-YLOXY)PHENYL)-3-(5-METHYLISOXAZOL-3-YL)UREA, N-(2-Chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N′-(5-methyl-3-isoxazolyl)urea, VEGFR Tyrosine Kinase Inhibitor IV, 4ase, N-(2-Chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea, Urea, N-(2-chloro-4-((6,7-dimethoxy-4-quinolinyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)-, UREA, N-[2-CHLORO-4-[(6,7-DIMETHOXY-4-QUINOLINYL)OXY]PHENYL]-N'-(5-METHYL-3-ISOXAZOLYL)-, AV-951,Tivozanib, S1207_Selleck, PubChem22421

Molecular Formula: C22H19ClN4O5Molecular Weight: 454.863060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N

• N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide
IUPAC Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide | CAS Registry Number: 918505-84-7
Synonyms: PLX4720, PLX-4720, PLX 4720, N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, PLX 4720, PLX-4720, 918505-84-7, PLX4720, PLX-4720, N-(3-{5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, S1152_Selleck, PubChem19346, 3c4c, cc-4, UNII-EQY31RO8HA, SureCN133733, CHEMBL1230020, CTK5H0564, HMS3244C03, HMS3244C04, HMS3244D03, HMS3265I09, HMS3265I10

Molecular Formula: C17H14ClF2N3O3SMolecular Weight: 413.826166 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: YZDJQTHVDDOVHR-UHFFFAOYSA-N

• N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 439081-18-2
Synonyms: Tovok, BIBW-2992, BIBW 2992, CID10184653, CID 10184653, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, 915958-11-1

Molecular Formula: C24H25ClFN5O3Molecular Weight: 485.938403 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-N

• N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide
IUPAC Name: N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide | CAS Registry Number: 331771-20-1
Synonyms: ZM-447439, ZM447439, N-[4-[[6-METHOXY-7-[3-(4-MORPHOLINYL)PROPOXY]-4-QUINAZOLINYL]AMINO]PHENYL]BENZAMIDE, ZM 447439, TCMDC-125873, AG-F-11633, ZM 447439, ZM447439, 331771-20-1, ZM447439, ZM-447439, S1103_Selleck, Kinome_3319, NCGC00159574-01, PubChem24158, cc-90, SureCN597105, UNII-RSN3P9776R, CHEMBL202721, CTK4H0102, BCPP000002, HMS3269E21, ABP000121

Molecular Formula: C29H31N5O4Molecular Weight: 513.587540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: OGNYUTNQZVRGMN-UHFFFAOYSA-N

• N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide
IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide | CAS Registry Number: 345627-80-7
Synonyms: BMS-387032, SNS-032, BMS-387072, CID3025986, LS-186036, N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide, 4-Piperidinecarboxamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-

Molecular Formula: C17H24N4O2S2Molecular Weight: 380.528060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OUSFTKFNBAZUKL-UHFFFAOYSA-N

• Nadifloxacin
Synonyms: nadifloxacin, Acuatim, S-Nadifloxacin, Nadoxin, Nadixa, NDFX, Acuatim (TN), Nadifloxacine [INN-French], Nadifloxacinum [INN-Latin], Nadifloxacin (JAN/INN), Nadifloxacino [INN-Spanish], Opc 7251, Nadifloxacin [BAN:INN:JAN], OPC-7251, CCRIS 4066, MLS002154166, C19H21FN2O4, CHEBI:31889, NCGC00164620-01, SMR001233465

Molecular Formula: C19H21FN2O4Molecular Weight: 360.379443 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: JYJTVFIEFKZWCJ-UHFFFAOYSA-N

• Naringenin
IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 480-41-1
Synonyms: naringenin, naringetol, pelargidanon, salipurpol, Naringenine, Salipurol, Asahina, (S)-Naringenin, (-)-Naringenin, flavanone naringenin, pelargidanon 1602, 4',5,7-Trihydroxyflavanone, NARINGENIN-CMPD, YSO1, Spectrum_000247, Spectrum2_000325, Spectrum3_000567, Spectrum4_000124, Spectrum5_001423, (-)-(2S)-Naringenin

Molecular Formula: C15H12O5Molecular Weight: 272.252780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N

• nelarabine
IUPAC Name: (3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 121032-29-9
Synonyms: Nelarabine, Nelzarabine, Arranon, Nelarabine [USAN], Nelzarabine [USAN], GW 506U78, C11H15N5O5, 506U, 506U78, LS-172477, 9beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 9H-Purin-2-amine, 9beta-D-arabinofuranosyl-6-methyl-, 9-beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine, U78

Molecular Formula: C11H15N5O5Molecular Weight: 297.267300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: IXOXBSCIXZEQEQ-KBNQYOMWSA-N

• Nesiritide Acetate
Synonyms: Nesiritide Acetate (BNP-32) Brain Natriuretic Pept, C145H248N50O44S4, P563, 471N180

Molecular Formula: C145H248N50O44S4Molecular Weight: 3524.125 [g/mol]
H-Bond Donor: 57H-Bond Acceptor: 57

InChIKey: FJULFJFRGUHITK-INJFIXSDSA-N

• Nicaraven
IUPAC Name: N-[1-(pyridine-3-carbonylamino)propan-2-yl]pyridine-3-carboxamide | CAS Registry Number: 79455-30-4
Synonyms: Antevas, Nicaraven [INN], Nicaravenum [INN-Latin], N,N'-Propylenenicotinamide, 1,2-Bis(nicotinamido)propane, CCRIS 7280, N,N'-propylenebis(nicotinamide), STOCK2S-06610, (+-)-N,N'-Propylenedinicotinamide, C15H16N4O2, (+-)-N,N'-Propylenebis(nicotinamide), NCGC00160494-01, LS-130655, N,N'-(1-Methyl-1,2-ethanediyl)bis-3-pyridinecarboxamide, 3-Pyridinecarboxamide, N,N'-(1-methyl-1,2-ethanediyl)bis-, AVS

Molecular Formula: C15H16N4O2Molecular Weight: 284.313140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KTXBOOWDLPUROC-UHFFFAOYSA-N

• Nicergoline
Synonyms: nicergoline, Nicotergoline, Nimergoline, Nimergoline base, Sermion, Nicergolin [German], Nicergolina [DCIT], Sermion (TN), Spectrum_001370, Nicergolinum [INN-Latin], Prestwick0_000147, Prestwick1_000147, Prestwick2_000147, Prestwick3_000147, Spectrum2_001414, Spectrum3_001933, Spectrum4_000440, Spectrum5_001352, BSPBio_000254, BSPBio_003533

Molecular Formula: C24H26BrN3O3Molecular Weight: 484.385540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: YSEXMKHXIOCEJA-FVFQAYNVSA-N

• Nicorandil
IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl nitrate | CAS Registry Number: 65141-46-0
Synonyms: NICORANDIL, Adancor, Sigmart, Dancor, Ikorel, Sigmart (TN), 2-Nicotinamidoethyl nitrate, Nicorandil Merck Brand, Tocris-2147, 2-Nicotinamidethyl Nitrate, Nicorandilum [INN-Latin], Nicorandil Aventis Brand, Merck Brand of Nicorandil, 2-(Nicotinamido)ethyl nitrat, 2 Nicotinamidethyl Nitrate, 2 Nicotinamidoethyl Nitrate, Aventis Brand of Nicorandil, Nitrate, 2-Nicotinamidethyl, SG 75, SG-75

Molecular Formula: C8H9N3O4Molecular Weight: 211.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LBHIOVVIQHSOQN-UHFFFAOYSA-N

• Nilotinib
IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | CAS Registry Number: 641571-10-0
Synonyms: AMN107, AMN 107, CHEBI:52172, AMN-107, TL8004531, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide, 4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI), NIL

Molecular Formula: C28H22F3N7OMolecular Weight: 529.515790 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

• Nimustine Hydrochloride
IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea hydrochloride | CAS Registry Number: 55661-38-6
Synonyms: Nidran, Nimustine hydrochloride, ACNU, Nidran hydrochloride, Nidran (TN), CS 439 HCl, Nimustina clorhidrato [Spanish], MLS002153238, Nimustine hydrochloride (JAN), CHEBI:7576, CS-439, NSC-245,382, NSC245382, SMR001230702, WLN: T6N CNJ B1 DZ E1MVNNO&2G, LS-158850, TL8003631, C11276, D01059, 1-(2-Cloroetil)-1-nitroso-3-((2-metil-4-aminopirimidin-5-il)metil)urea clorhidrato [Spanish]

Molecular Formula: C9H14Cl2N6O2Molecular Weight: 309.152460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: KPMKNHGAPDCYLP-UHFFFAOYSA-N

• Nolatrexed Di Hydrochloride
IUPAC Name: 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one dihydrochloride | CAS Registry Number: 152946-68-4
Synonyms: Thymitaq, Nolatrexed, Nolatrexed dihydrochloride, AG 337, AG-337, LS-186985, 2-Amino-6-methyl-5-(4-pyridinylthio)-4(1H)-quinazolinone dihydrochloride, 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride, 3,4-Dihydro-2-amino-6-methyl-4-oxo-5-(4-pyridylthio)quinazoline dihydrochloride

Molecular Formula: C14H14Cl2N4OSMolecular Weight: 357.258160 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: PJKVJJYMWOCLIJ-UHFFFAOYSA-N

• Nomilin
Synonyms: Limonoid, AIDS002684, AIDS-002684, CID72320, NSC297134, NSC 297134, AI3-37935, C08773, 1-(Acetyloxy)-1,2-dihydroobacunoic acid eta-lactone, 1-(Acetyloxy)-1,2-dihydroobacunoic acid .epislon.-lactone, Obacunoic acid, 1-(acetyloxy)-1,2-dihydro-, eta-lactone

Molecular Formula: C28H34O9Molecular Weight: 514.564160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: KPDOJFFZKAUIOE-WNGDLQANSA-N

• NVP-BHG712
IUPAC Name: 4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide | CAS Registry Number: 940310-85-0
Synonyms: 940310-85-0 , NVP BHG712, 4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide, S2202_Selleck, NVPBHG712, AGN-PC-015AWW, SureCN4699731, cc-540, NVP BHG 712, QCR-258, MolPort-016-633-311, BCP9001010, CS-0469, RL05902, NCGC00249391-01, HY-13258, KB-58915, NVP-BHG712-Supplied by Selleck Chemicals, X7502, NVP-BHG712|940310-85-0|NVP BHG 712, 4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide

Molecular Formula: C26H20F3N7OMolecular Weight: 503.478510 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N

• NVP-TAE684
IUPAC Name: 5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine | CAS Registry Number: 761439-42-3
Synonyms: TAE684, NVP-TAE 684, TAE-684, 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine, TAE684, 761439-42-3, TAE684, NVP-TAE684, GUI, S1108_Selleck, Kinome_1205, PubChem16769, cc-17, SureCN282775, AGN-PC-00RX8K, NVP TAE684, UNII-EH1713MN4K, NVP TAE 684, NVT-TAE-684, CHEMBL509032, TAE 684, CHEBI:547450

Molecular Formula: C30H40ClN7O3SMolecular Weight: 614.201700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: QQWUGDVOUVUTOY-UHFFFAOYSA-N

• Olaparib
IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one | CAS Registry Number: 763113-22-0
Synonyms: AZD 2281, AZD-2281, AZD2281, KU-0059436, S1060_Selleck, Acylpiperazine analogue, 47, 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine, CHEMBL521686, AKOS005145764, 937799-91-2, AZD2281(olaparib), EN002690, KU-59436, KU0059436, FT-0083489, 4-(3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one, Olaparib, KU-0059436, AZD2281, KU0059436, AZD2281, 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one, 4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one, OLAPARIB cpd

Molecular Formula: C24H23FN4O3Molecular Weight: 434.462823 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-N

• Ophiopogonin D
Synonyms: deacetylophiopogonin c pound notojv-v

Molecular Formula: C44H70O16Molecular Weight: 855.028 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 16

InChIKey: FHKHGNFKBPFJCB-BVTJHEIRSA-N

• Orientin
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 28608-75-5
Synonyms: Lutexin, Orientin (Flavone), Luteolin 8-glucoside, Luteolin 8-C-glucoside, 8-beta-D-glucosylluteolin, CHEBI:7781, AIDS026706, AIDS-026706, C21H20O11, CID5281675, LS-39605, C10114, 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-, 8-C-beta-glucopyranosyl-3',4',5,7-tetrahydroxyflav-2-en-3-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-D-glucopyranosyl-5,7-dihydroxy-

Molecular Formula: C21H20O11Molecular Weight: 448.376900 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: PLAPMLGJVGLZOV-VPRICQMDSA-N

• OSI-420 (DESMETHYL ERLOTINIB)
IUPAC Name: 2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol | CAS Registry Number: 183321-86-0
Synonyms: OSI-420, Free Base (Desmethyl Erlotinib), 183321-86-0 pound>>183320-51-6, CTK8F1287, BCPP000136, Desmethyl Erlotinib (CP-473420), ZINC22065493, BCP9001036, NCGC00346578-01, KB-59328, FT-0673312, FT-0673313, 2-[[4-[(3-Ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]ethanol

Molecular Formula: C21H21N3O4Molecular Weight: 379.409140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: KOQIAZNBAWFSQM-UHFFFAOYSA-N

• Ostarine
IUPAC Name: (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide | CAS Registry Number: 1202044-20-9
Synonyms: ENOBOSARM, GTx-024, MK-2866, Enobosarm (USAN), Enobosarm [USAN], GTx-024, MK-2866, Ostarine, 841205-47-8, MK 2866, MK 2866, 1202044-20-9, MK2866, (2S)-3-(4-Cyanophenoxy)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methylpropanamide, (2s)-3-(4-Cyanophenoxy)-N-[4-Cyano-3-(Trifluoromethyl)phenyl]-2-Hydroxy-2-Methylpropanamide, SureCN109069, UNII-O3571H3R8N, CHEMBL1738889, AKOS005266718, CS-0562, EX-8408, NCGC00346499-01, HY-13273

Molecular Formula: C19H14F3N3O3Molecular Weight: 389.327970 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: JNGVJMBLXIUVRD-SFHVURJKSA-N

• P-TOLUENESULFONYL-L-ARGININE METHYL ESTER HCL
IUPAC Name: methyl 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate | CAS Registry Number: 901-47-3
Synonyms: Probes1_000325, Probes2_000471, CBDivE_015738, CHEBI:380054, MolPort-001-813-207, NSC80683, CID416661, Arginine, N(2)-p-toluenesulfonyl-, methyl ester, p-TOLUENESULFONYL-L-ARGININE METHYL ESTER HCl, 5-Guanidino-2-(toluene-4-sulfonylamino)-pentanoic acid methyl ester

Molecular Formula: C14H22N4O4SMolecular Weight: 342.413880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: FKMJXALNHKIDOD-UHFFFAOYSA-N

• Paclitaxel
Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula: C47H51NO14Molecular Weight: 853.906140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Paeoniflorin
Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

Molecular Formula: C23H28O11Molecular Weight: 480.461820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

• Panobinostat
IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide | CAS Registry Number: 404950-80-7
Synonyms: Faridak, LBH-589, NVP-LBH-589, LBH-589B, LBH589, LBH 589, ZINC22010649, CID6918837, 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-

Molecular Formula: C21H23N3O2Molecular Weight: 349.426220 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: FPOHNWQLNRZRFC-ZHACJKMWSA-N

• Paricalcitol
IUPAC Name: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol | CAS Registry Number: 131918-61-1
Synonyms: Zemplar, Paracalcin, Paricalcitol [USAN], Compound 49510, Zemplar (TN), Compound-49510, Paricalcitol (USAN/INN), Abbott brand of paricalcitol, 19-Nor-1alpha,25-dihydroxyvitamin D2, CHEBI:7931, 19-Nor-1,25-(OH)2D2, HSDB 7360, ABT-358, C27H44O3, Ab 122358, DB00910, 19-Nor-1-alpha,25-dihydroxyvitamin D2, LS-172812, C08127, D00930

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: BPKAHTKRCLCHEA-UBFJEZKGSA-N

• PD 128907 Hydrochloride
IUPAC Name: (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol;hydrochloride | CAS Registry Number: 300576-59-4
Synonyms: S(+)-PD 128,907 hydrochloride, (+/-)-PD 128,907 hydrochloride, PD 125,530, (+)-PD 128,907 hydrochloride, R(-)-PD 128,908 hydrochloride, (+)-(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride, (+)-PD 128907 hydrochloride, EU-0101038, P183_SIGMA, P201_SIGMA, P216_SIGMA, MLS002153393, CHEMBL1256778, MolPort-003-959-173, (?)-PD 128,907 hydrochloride, AKOS015900216, EX-3305, LP00988, LP01038, SPD-128907

Molecular Formula: C14H20ClNO3Molecular Weight: 285.766500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DCFXOTRONMKUJB-QMDUSEKHSA-N

• PD0325901
IUPAC Name: N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide | CAS Registry Number: 870474-62-7
Synonyms: 391210-10-9, PD 0325901, PD-0325901, S1036_Selleck, PD325901, PD 325901, PD-325901, CHEMBL507361, ZINC03938683, (R)-N-(2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide, (R)-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)BENZAMIDE, N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide, DB07101, NCGC00189075-01, S06-0029, N-[((R)-2,3-dihydroxypropyl)oxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide, 4BM, CID9826528, nchembio.282-comp3, PubChem22394

Molecular Formula: C16H14F3IN2O4Molecular Weight: 482.193040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: SUDAHWBOROXANE-SECBINFHSA-N

• PD318088
IUPAC Name: 5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide | CAS Registry Number: 391210-00-7
Synonyms: PD 318088, PD-318088, S1568_Selleck, AGN-PC-01LTJY, C16H13BrF3IN2O4, cc-457, MolPort-006-168-845, BCPP000120, BCP9001066, CS-0222, RL03489, NCGC00346552-01, HY-12062, PD318088-Supplied by Selleck Chemicals, X7397, PD 318088, 391210-00-7, PD318088|391210-00-7|PD-318088, 5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzamide, 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-, 5-bromo-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide

Molecular Formula: C16H13BrF3IN2O4Molecular Weight: 561.089100 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: XXSSGBYXSKOLAM-UHFFFAOYSA-N

• Pelitinib
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 257933-82-7
Synonyms: EKB-569, Pelitinib (USAN/INN), WAY-EKB 569, WAY-EKB-569, CHEBI:38927, EKB 569, NSC729742, CID6445562, WAY-172569, D05399, (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, (E)-N-[4-(3-Chloro-4-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide,, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-, 2-Butenamide, N-[4-(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl-4-(dimethylamino)-, (E)-,, 4-Dimethylaminobut-2-enoic Acid, [4-(3-Chloro-4-fluoro phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide

Molecular Formula: C24H23ClFN5O2Molecular Weight: 467.923123 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WVUNYSQLFKLYNI-AATRIKPKSA-N

• Peramivir
IUPAC Name: (1S,2S,3S,4R)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid | CAS Registry Number: 229614-55-5
Synonyms: UNII-QW7Y7ZR15U, BCX1812, CHEBI:292932, BCX 1812, CID151164, RWJ270201, RWJ 270201, RWJ-270201, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, 3-(1'-acetylamino-2'-ethyl)butyl-4-((aminoimino)methyl)amino-2-hydroxycyclopentane-1-carboxylic acid, 330600-85-6, BCZ, Cyclopentanecarboxylic acid, 3-((1S)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1S,2S,3R,4R)-

Molecular Formula: C15H28N4O4Molecular Weight: 328.407220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: XRQDFNLINLXZLB-GKWMMFDUSA-N

• Perifosine
IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate | CAS Registry Number: 157716-52-4
Synonyms: Perifosine [INN], NKA17, KRX-0401, CID148177, NSC639966, NSC 639966, NSC-639966, D 21266, D-21266, octadecyl-(1,1-dimethyl-4-piperidylio)phosphate, C105905, 4-((Hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethylpiperidinium inner salt, Piperidinium, 4-((hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethyl-, inner salt, Piperidinium, 4-[[hydroxy(octadecyloxy)phosphinyl]oxy]-1,1-dimethyl-, inner salt

Molecular Formula: C25H52NO4PMolecular Weight: 461.658441 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SZFPYBIJACMNJV-UHFFFAOYSA-N

• PICODRALAZINE
IUPAC Name: [4-(pyridin-4-ylmethyl)phthalazin-1-yl]hydrazine | CAS Registry Number: 17692-43-2
Synonyms: Picodralazine, Picodralazina, Picodralazinum, Picodralazinum [INN-Latin], Picodralazina [INN-Spanish], UNII-O9D004V63I, STOCK4S-99277, MolPort-002-628-318, CID71890, EINECS 241-684-2, ZINC00001943, NCGC00160509-01

Molecular Formula: C14H13N5Molecular Weight: 251.286520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KCASCYQNVLPVDP-UHFFFAOYSA-N

• Picroside
Synonyms: Picroside II, Vanilloyl catalpol, 6-Vanilloylcatalpol, EINECS 254-247-6, CID3081484, 51014-55-2, beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-((4-hydroxy-3-methoxybenzoyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-

Molecular Formula: C23H28O13Molecular Weight: 512.460620 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: AKNILCMFRRDTEY-UHFFFAOYSA-N

• Pimavanserin
IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea | CAS Registry Number: 706779-91-1
Synonyms: 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea, AC-5273, ST51054136, I14-1981, CID10071196, 868855-07-6, SureCN675165, UNII-JZ963P0DIK, CTK6A8888, MolPort-008-155-976, DCL000930, AKOS015902593, AG-B-78949, RP07134, 1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidyl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, Y0393, A836958, 1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidinyl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide

Molecular Formula: C25H34FN3O2Molecular Weight: 427.554763 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RKEWSXXUOLRFBX-UHFFFAOYSA-N

• Pimecrolimus
Synonyms: Elidel, SDZ-ASM 981, 33-epi-Chloro-33-desoxyascomycin, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-((1E)-2-((1R,3R,4S)-4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-(2-(4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4R*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-

Molecular Formula: C43H68ClNO11Molecular Weight: 810.453120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: KASDHRXLYQOAKZ-OLHLVPFQSA-N

• Pitavastatin
IUPAC Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid | CAS Registry Number: 147511-69-1
Synonyms: Pitavastatin [INN], NK 104, NCGC00164566-01, NCGC00164566-02, LS-187750, ( )-(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid, (3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (3R,5S,6E)-, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-

Molecular Formula: C25H24FNO4Molecular Weight: 421.460763 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: VGYFMXBACGZSIL-VAWYXSNFSA-N

• Pixantrone
IUPAC Name: 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione | CAS Registry Number: 144510-96-3
Synonyms: 6,9-Aea-biqdo, UNII-F5SXN2KNMR, Pixantrone (USAN/INN), CHEBI:380181, BBR 2778, CID134019, D05522, 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione, 5,8-Bis((2-aminoethyl)amino)-2-aza-anthracene-9,10-dione, 6,9-Bis((2-aminoethyl)amino)benz(g)isoquinoline-5,10-dione, 6,9-Bis((2-aminoethyl)amino)benzo(g)isoquinoline-5,10-dione, 6,9-Bis-(2-amino-ethylamino)-benzo[g]isoquinoline-5,10-dione, Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-

Molecular Formula: C17H19N5O2Molecular Weight: 325.365060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: PEZPMAYDXJQYRV-UHFFFAOYSA-N

• Platycodin D
IUPAC Name: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | CAS Registry Number: 58479-68-8
Synonyms: CID162859, LS-193714, Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-D-apio-beta-D-furanosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-L-arabinopyranosyl ester, (2beta,3beta,16alpha)-

Molecular Formula: C57H92O28Molecular Weight: 1225.323580 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 28

InChIKey: CYBWUNOAQPMRBA-NDTOZIJESA-N


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