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All Chemistry Inc.

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Profile: ALL Chemistry Inc. is your reliable partner for contract research and advanced synthesis and analysis. We specialize in providing professional chemical products and custom solutions for pharmaceutical and biotechnological industries and research institutions on a global scale. Our extensive catalog of research chemicals covers chiral compounds, natural compounds, labeled products, small molecule inhibitors, flavor and fragrance products, and we offer custom synthesis, custom compound screening and library services upon customer requirements.

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• Diethyl Maleate
IUPAC Name: diethyl (Z)-but-2-enedioate | CAS Registry Number: 141-05-9
Synonyms: Ethyl maleate, Diethylmaleate, DIETHYL MALEATE, Maleic acid, diethyl ester, diethyl but-2-enedioate, Maleic acid diethyl ester, diethyl (2Z)-but-2-enedioate, CCRIS 941, D97703_ALDRICH, WLN: 2OV1U1VO2, 2-Butenedioic acid (Z)-, diethyl ester, (C8-C15) Dialkyl maleates, W505005_ALDRICH, NSC 8394, C20-C24 Fatty alcohol maleate, EINECS 205-451-9, NSC8394, AIDS208584, AIDS-208584, Diethylester kyseliny maleinove [Czech]

Molecular Formula: C8H12O4Molecular Weight: 172.178480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IEPRKVQEAMIZSS-WAYWQWQTSA-N

• Diethyltoluamide
IUPAC Name: N,N-diethyl-3-methylbenzamide | CAS Registry Number: 134-62-3
Synonyms: DEET, Metadelphene, Dieltamid, Delphene, Detamide, N,N-Diethyl-m-toluamide, Flypel, Autan, Repudin-Special, m-Delphene, Diethyl toluamide, Muscol, Naugatuck DET, Repel, Repper-DET, DETA, Diethyl-m-toluamide, M-Det, Bepper DET, Repper DET

Molecular Formula: C12H17NOMolecular Weight: 191.269480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MMOXZBCLCQITDF-UHFFFAOYSA-N

• DIHYDROERGOCRISTINE MESYLATE; (5'A,10A)-9,10-DIHYDRO-12'-HYDROXY-2'-(1-METHYLETHYL)-5' -BENZYL-ERGOTAMAN-3',6',18-TRIONE MESYLATE
Synonyms: Diertine, Dihydroergocristine, Diertine (TN), Prestwick_745, Dihydroergocristine mesilate, D155_SIGMA, DIHYDROERGOCRISTINE MESYLATE, MLS000069354, MLS001076298, MLS001333686, MLS002222256, MolPort-000-763-385, Dihydroergocristine methanesulfonate, HMS1569B06, PHAR094403, Dihydroergocristine mesilate (BAN), CID444034, Dihydroergocristine methanesulfonate salt, NCGC00025380-03, SMR000058240

Molecular Formula: C36H45N5O8SMolecular Weight: 707.836200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: SPXACGZWWVIDGR-SPZWACKZSA-N

• Dihydromyrcene
IUPAC Name: 3,7-dimethylocta-1,6-diene | CAS Registry Number: 2436-90-0
Synonyms: Citronellene, DIHYDROMYRCENE, 3,7-Dimethyl-1,6-octadiene, 3,7-Dimethylocta-1,6-diene, 1,6-Octadiene, 3,7-dimethyl-, EINECS 219-433-3, R(-)3,7-Dimethyl-1,6-octadiene, LS-97783, 1,6-Octadiene, 3,7-dimethyl-, (S)-, 128241-35-0

Molecular Formula: C10H18Molecular Weight: 138.249920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FUDNBFMOXDUIIE-UHFFFAOYSA-N

• Diminazine Diaceturate
IUPAC Name: 2-acetamidoacetic acid; 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide | CAS Registry Number: 908-54-3
Synonyms: Diminazene diaceturate, N-acetylglycine - 4-[(1E)-3-{4-[amino(imino)methyl]phenyl}triaz-1-en-1-yl]benzenecarboximidamide (2:1)

Molecular Formula: C22H29N9O6Molecular Weight: 515.522360 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 13

InChIKey: OKQSSSVVBOUMNZ-UHFFFAOYSA-N

• Diphenylmethane
IUPAC Name: phenylmethylbenzene | CAS Registry Number: 101-81-5
Synonyms: Benzylbenzene, Ditan, Ditane, Benzyl benzene, Benzene, benzyl-, Diphenyl methane, Diphenylmethan, Diphenylmethyl, Methane, diphenyl-, Methylenedibenzene, alpha-phenyltoluene, Benzene, 1,1'-methylenebis-, (phenylmethyl)benzene, Benzene, (phenylmethyl)-, Toluene, alpha-phenyl-, Diphenylmethyl radical, 1,1'-methylenedibenzene, 1,1'-Dimethylenebis(benzene), Toluene, .alpha.-phenyl-, 1,1'-METHYLENEBISBENZENE

Molecular Formula: C13H12Molecular Weight: 168.234380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CZZYITDELCSZES-UHFFFAOYSA-N

• DIPROTIN A
IUPAC Name: 1-(2-amino-3-methylpentanoyl)-N-(3-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide | CAS Registry Number: 90614-48-5
Synonyms: Ile-Pro-Ile, PRO01, IPI

Molecular Formula: C17H31N3O3Molecular Weight: 325.446340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KHRSTJDHVMBJRG-UHFFFAOYSA-N

• Disodium Adenosine Triphosphate
IUPAC Name: disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate | CAS Registry Number: 987-65-5
Synonyms: Adenosine triphosphate disodium, CHEBI:50732, Disodium adenosine 5'-triphosphate, Adenosine 5'-triphosphate disodium salt, disodium 5'-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)adenosine

Molecular Formula: C10H14N5Na2O13P3Molecular Weight: 551.144683 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 18

InChIKey: TTWYZDPBDWHJOR-IDIVVRGQSA-L

• DIZOCILPINE
Synonyms: Neurogard, Lopac-M-107, Lopac-M-108, Prestwick0_000109, Prestwick1_000109, Prestwick2_000109, Prestwick3_000109, DIZOCILPINE MALEATE, Biomol-NT_000210, Lopac0_000872, BSPBio_000098, SPBio_002037, BPBio1_000108, BPBio1_001272, (+)-MK-801 hydrogen maleate, CHEBI:132408, AIDS008309, MK801, AIDS-008309, CID180081

Molecular Formula: C16H15NMolecular Weight: 221.297000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LBOJYSIDWZQNJS-CVEARBPZSA-N

• DL-a-Tocopherol (Vitamin E)
IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol | CAS Registry Number: 10191-41-0
Synonyms: alpha-Tocopherol, VITAMIN E, Ephanyl, Phytogermine, Waynecomycin, Viteolin, Eprolin, Vitaped, Esorb, Aquasol E, Mvc Plus, Pheryl-E, Vita plus E, ido-E, Vitamin- E, D-alpha-Tocopherol, Prestwick_653, (+)-alpha-Tocopherol, Tocopherol (R,S), M.V.I. Pediatric

Molecular Formula: C29H50O2Molecular Weight: 430.706100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GVJHHUAWPYXKBD-IEOSBIPESA-N

• Dl-Goitrin
IUPAC Name: 5-ethenyl-1,3-oxazolidine-2-thione | CAS Registry Number: 13190-34-6
Synonyms: Goitrin, DL-Goitrin, ( -)-Goitrin, goitrin, (R)-isomer, goitrin, (S)-isomer, 5-Vinyloxazolidine-2-thione, 5-vinyl-2-thiooxazolidone, 5-vinyloxazolidin-2-thione, goitrin, (+-)-isomer, 2-Oxazolidinethione, 5-ethenyl-, C5H7NOS, 5-Ethenyl-2-oxazolidinethione, L-5-Vinyl-2-thiooxazolidone, EINECS 236-145-3, 5-Vinyl-1,3-oxazolidine-2-thione, 2-Oxazolidinethione, 5-vinyl-, DL-, CID3034683, 2-Oxazolidinethione, 5-ethenyl-, (S)-, LS-172811, C004333

Molecular Formula: C5H7NOSMolecular Weight: 129.180180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UZQVYLOFLQICCT-UHFFFAOYSA-N

• Docosahexaenoic Acid (DHA)
IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid | CAS Registry Number: 6217-54-5
Synonyms: Doconexent, Cervonic acid, Docosahexaenoic acid, Doxonexent, 1fdq, Doconexent [INN], all-Z-Docosahexaenoic acid, Spectrum5_002062, Doconexentum [INN-Latin], Docosahexaenoic acid (all-Z), Doconexento [INN-Spanish], CCRIS 7670, Docosahexaenoic acid (6CI), BSPBio_001298, D2534_SIGMA, BCBcMAP01_000145, CHEBI:28125, LMFA01030185, cis-4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid

Molecular Formula: C22H32O2Molecular Weight: 328.488280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-N

• Domperidone
IUPAC Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one | CAS Registry Number: 57808-66-9
Synonyms: domperidone, Motilium, Domperidon, Nauzelin, Gastrocure, Domidon, Apo Domperidone, Apo-Domperidone, Nu Domperidone, Nu-Domperidone, Domperidon AL, Domperidon Hexal, Domperidon Stada, Novo Domperidone, Novo-Domperidone, PMS Domperidone, PMS-Domperidone, ratio Domperidone, ratio-Domperidone, Domperidon TEVA

Molecular Formula: C22H24ClN5O2Molecular Weight: 425.911260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FGXWKSZFVQUSTL-UHFFFAOYSA-N

• Doxorubicin Hydrochloride
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 25316-40-9
Synonyms: Adriamycin, Adriacin, Doxil, Rubex, Adriamycin (TN), Adriacin (TN), Prestwick_188, Doxil (TN), Rubex (TN), ADRIAMYCIN, HYDROCHLORIDE, MLS000028393, MLS000049969, MLS000049970, MLS000049971, MLS000070047, MLS000392861, MLS000392871, MLS000392881, MLS000392891, MLS000392901

Molecular Formula: C27H30ClNO11Molecular Weight: 579.980200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-N

• Doxycycline
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione | CAS Registry Number: 564-25-0
Synonyms: doxycycline, Doxytetracycline, Deoxymykoin, Vibramycin, Vibramycine, Vibravenos, Azudoxat, Doxitard, Doxivetin, Investin, Liviatin, Doxycen, Monodox, Ronaxan, Nordox, Spanor, Vibra-tabs, Doxy-Puren, Doxycyclin, Hydramycin

Molecular Formula: C22H24N2O8Molecular Weight: 444.434560 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: UEVKMCOZLJYVNG-NMMSOKQRSA-N

• Doxycycline Hyclate
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride | CAS Registry Number: 24390-14-5
Synonyms: Periostat, Doryx, Vibra-tabs, Doxycycline hyclate, Periostat (TN), Vibra-tabs (TN), DOXY, Doryx (TN), Doxycycline hyclate (USP), Doxycycline hydrochloride hydrate, Doxycycline hydrochloride hydrate (JP15), D02129, (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide - ethanol (2:1) dihydrochloride hydrate

Molecular Formula: C46H58Cl2N4O18Molecular Weight: 1025.874720 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 22

InChIKey: QDDHZFKCHWYXJF-QJYIYOKRSA-N

• Dyclonine Hydrochloride
IUPAC Name: 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride | CAS Registry Number: 536-43-6
Synonyms: Dyclone, Dyclothane, Diclonina, Tanaclone, dyclonine, Dyclonine hydrochloride, Prestwick_674, Dyclone (TN), Dyclocaine hydrochloride, C18H27NO2.HCl, MLS000069532, MLS001077359, SPECTRUM1500268, Dyclonine hydrochloride (USP), EINECS 208-633-6, NSC 23018, NCGC00094662-01, NCGC00094662-02, NCGC00094662-03, NCGC00094662-04

Molecular Formula: C18H28ClNO2Molecular Weight: 325.873420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KNZADIMHVBBPOA-UHFFFAOYSA-N

• Ebselen
IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one | CAS Registry Number: 60940-34-3
Synonyms: ebselen, Harmokisane, Ebselene, Ebseleno, Ebselenum, Ebselene [French], Ebselenum [Latin], Ebseleno [Spanish], Ebselen [INN], Prestwick_1057, nchembio.109-comp1, C13H9NOSe, Prestwick0_000740, Prestwick1_000740, Prestwick2_000740, Prestwick3_000740, Spectrum2_001441, Spectrum3_000799, Spectrum4_000445, Spectrum5_001713

Molecular Formula: C13H9NOSeMolecular Weight: 274.176660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N

• eIF2-GTP-tRNAiMet Ternary Complex Inhibitor, BTdCPU (N,N''-diarylurea;translation Initiation Tenrary Complex Inhibitor, 1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(3,4-dichlorophenyl)urea, BTdCPU, Heme-regulated Inhibitor Kinase Activator, BTdCPU)
IUPAC Name: 1-(1,2,3-benzothiadiazol-6-yl)-3-(3,4-dichlorophenyl)urea | CAS Registry Number: 1257423-87-2
Synonyms: BTdCPU, 1-(Benzo[d][1,2,3]thiadiazol-6-yl)-3-(3,4-dichlorophenyl)urea, SCHEMBL4555048, BCP31242, HY-118266, CS-0065564, eIF2 CGTP CtRNAiMetTernaryCompInhib,BTdCPU, 1-(1,2,3-Benzothiadiazole-6-yl)-3-(3,4-dichlorophenyl)urea

Molecular Formula: C13H8Cl2N4OSMolecular Weight: 339.200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NUUSUAWULNXMGF-UHFFFAOYSA-N

• Elacridar
IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide | CAS Registry Number: 143664-11-3
Synonyms: GG918, GF-120918, CID119373, GF120918A, GG 918, GG-918, GW-918, GF 120918, GF-120918A, GF120918, GW-120918, C083501, N-(4-(2-(1,2,3,4-Tetrahydro-6,7-dimethoxy-2-isoquinolinyl)ethyl)phenyl)-9,10-dihydro-5-methoxy-9-oxo-4-acridine carboxamide, 4-Acridinecarboxamide, N-(4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)-9,10-dihydro-5-methoxy-9-oxo-, N-(4-(2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)-9,10-dihydro-5-methoxy-9-oxo-4-acridinecarboxamide

Molecular Formula: C34H33N3O5Molecular Weight: 563.642920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: OSFCMRGOZNQUSW-UHFFFAOYSA-N

• Enrofloxacin
IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 93106-60-6
Synonyms: Baytril, endrofloxicin, Enrofloxacine, Enroxil, CFPQ, Baytril (TN), N-Ethylciprofloxacin, Enrofloxacine [French], Enrofloxacinum [Latin], ERFX, Enrofloxacino [Spanish], Bay-Vp-2674, Enrofloxacin (USAN/INN), Enrofloxacin [USAN:BAN:INN], BAY VP 2674, HSDB 6952, MLS000069441, MLS001076496, SPECTRUM1503721, 33699_RIEDEL

Molecular Formula: C19H22FN3O3Molecular Weight: 359.394683 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: SPFYMRJSYKOXGV-UHFFFAOYSA-N

• Epigallo Catechin Gallate (EGCG)
IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 989-51-5
Synonyms: EGCG, Tea catechin, Epigallocatechin gallate, Teavigo, Epigallocatechin 3-gallate, Catechin deriv., EGCG cpd, (-)-Epigallocatechin gallate, Green tea extract, Epigallocatechin-3-gallate, Ambap721, epigallo-catechin gallate, Spectrum_000316, SpecPlus_000277, Spectrum2_000168, Spectrum3_000244, Spectrum4_001541, Spectrum5_000102, Galloyl-L-epigallocatechol, (-)-Epigallocatechol gallate

Molecular Formula: C22H18O11Molecular Weight: 458.371720 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

• epsilon-Viniferin
IUPAC Name: 5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol | CAS Registry Number: 62218-08-0
Synonyms: (-)-.epsilon.-Viniferin, Viniferin, NSC634719, Cis-epsilon-viniferin, AC1NSSTY, (-)-epsilon-Viniferin, Iso-[epsilon]-viniferin, AC1Q7A6K, SureCN8040737, (-)-(E)-epsilon-viniferin, (-)-Trans-epsilon-viniferin, CPD-6960, 5-(6-Hydroxy-2-(4-hydroxyphenyl)-4-(2-(4-hydroxyphenyl)vinyl)-2,3-dihydro-1-benzofuran-3-yl)-1,3-benzenediol, 5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

Molecular Formula: C28H22O6Molecular Weight: 454.470680 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: FQWLMRXWKZGLFI-DAFODLJHSA-N

• Erythromycin Ethylsuccinate
IUPAC Name: 1-O-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,4R,6R,7R,8S,9R,12R,13S,14S)-9-ethyl-2,7,8-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-5,11-dioxo-10-oxacyclotetradec-1-yl]oxy]-6-methyloxan-3-yl] 4-O-ethyl butanedioate | CAS Registry Number: 1264-62-6
Synonyms: Monomycin, EryPed, Pediamycin, erythromycin ethylsuccinate, Wyamycin E, Erythroped, Pediazole, Erythrocin W, Mixture Name, E-Mycin E, E-Mycin-E, Eryped (TN), ERYZOLE, Erythrocin W (TN), ERY-PED, Spectrum_001046, Spectrum2_000983, Spectrum3_000419, Spectrum4_000536, Spectrum5_000668

Molecular Formula: C43H75NO16Molecular Weight: 862.052700 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 17

InChIKey: NSYZCCDSJNWWJL-YXOIYICCSA-N

• Ethyl 4-aminobenzoate hydrochloride
IUPAC Name: ethyl 4-aminobenzoate hydrochloride | CAS Registry Number: 23239-88-5
Synonyms: NSC122792, ST5448565

Molecular Formula: C9H12ClNO2Molecular Weight: 201.650080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JAADDQHUJDUAKW-UHFFFAOYSA-N

• FARNESENE, TRANS-B-(SECONDARY STANDARD)
IUPAC Name: (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene | CAS Registry Number: 18794-84-8
Synonyms: Farnesene, BETA-FARNESENE, .beta.-Farnesene, trans-beta-Farnesene, (E)-beta-farnesene, beta-trans-farnesene, nchembio.2007.29-comp10, 73492_FLUKA, CHEBI:10418, CHEBI:39241, CPD-8239, EINECS 242-582-0, EINECS 278-628-1, CID5281517, 7,11-Dimethyl-3-methylenedodeca-1,6,10-triene, (6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene, C09666, (E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-triene, 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-, 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene

Molecular Formula: C15H24Molecular Weight: 204.351060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JSNRRGGBADWTMC-NTCAYCPXSA-N

• Flavoxate HCL
IUPAC Name: 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrochloride | CAS Registry Number: 3717-88-2
Synonyms: Urispas, Flavoxate hydrochloride, Bladderon, Peflate, Spasmal, Prestwick_884, Urispas (TN), Spasuret hydrochloride, DW 61 (flavoxate), MLS002154247, F8304_SIGMA, DW-61, Rec 7/0040, Rec-7-0040, AK 123, NSC114649, Flavoxate hydrochloride (JP15/USAN), SMR000499576, TL8002737, D00718

Molecular Formula: C24H26ClNO4Molecular Weight: 427.920540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XOEVKNFZUQEERE-UHFFFAOYSA-N

• FLLL31
IUPAC Name: (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4,4-dimethylhepta-1,6-diene-3,5-dione | CAS Registry Number: 52328-97-9
Synonyms: Tetramethylcurcumin, SureCN10054233, CHEMBL2172011, (E,E)-1,7-Bis(3,4-dimethoxyphenyl)-4,4-dimethyl-1,6-heptadiene-3,5-dione

Molecular Formula: C25H28O6Molecular Weight: 424.486220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VMMZAMVBGQWOHT-UTLPMFLDSA-N

• FN-1501
IUPAC Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide | CAS Registry Number: 1429515-59-2
Synonyms: HY-111361, CS-0039834

Molecular Formula: C22H25N9OMolecular Weight: 431.504 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: VXLAKHWYGRKCGI-UHFFFAOYSA-N

• Frusemide
IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid | CAS Registry Number: 54-31-9
Synonyms: furosemide, Lasix, Furanthril, Furosemid, Fursemide, Errolon, Fusid, Fuluvamide, Furanthryl, Macasirool, Furantril, Lowpstron, Aisemide, Beronald, Desdemin, Frusemid, Frusemin, Fursemid, Prefemin, Rosemide

Molecular Formula: C12H11ClN2O5SMolecular Weight: 330.744140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

• Gallic Acid
IUPAC Name: 3,4,5-trihydroxybenzoic acid | CAS Registry Number: 149-91-7
Synonyms: Gallic acid, gallate, 3,4,5-Trihydroxybenzoic acid, Gallic acid, tech., Acid, Gallic, Gallic acid, tech, Gallic acid polymer, GALOP, Pyrogallol-5-carboxylic acid, 3,4,5-Trihydroxybenzoate, Benzoic acid, 3,4,5-trihydroxy-, Gallic acid monohydrate, Kyselina gallova [Czech], Spectrum_000342, SpecPlus_000307, Spectrum2_000399, Spectrum3_000254, Spectrum4_001544, Spectrum5_000108, CCRIS 5523

Molecular Formula: C7H6O5Molecular Weight: 170.119540 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N

• Gelsemine
Synonyms: Gelsemin, GELSEMINE, Prestwick_1052, Prestwick0_000662, Prestwick1_000662, Prestwick2_000662, HSDB 3488, SPBio_002644, EINECS 208-095-2, NSC 21729, BRN 5406576, LS-71132, 4-27-00-07526 (Beilstein Handbook Reference), (3R-(3alpha,4abeta,5alpha,8alpha,8abeta,9S*,10S*))-5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methylspiro(3,5,8-ethanylylidene-1H-pyrano(3,4-c)pyridine-10,3'-(3H)indol)-2'(1',H)-one, Spiro(3,5,8-ethanylylidene-1H-pyrano(3,4-c)pyridine-10,3'-(3H)indol)-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methyl-, (3R-(3alpha,4abeta,5alpha,8alpha,8abeta,9S*,10S*))-

Molecular Formula: C20H22N2O2Molecular Weight: 322.400880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NFYYATWFXNPTRM-ZIWPNRSCSA-N

• Genistein
IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 446-72-0
Synonyms: genistein, Genisteol, Genisterin, Prunetol, Sophoricol, Genestein, Differenol A, Isoflavone, Bonistein, 4',5,7-Trihydroxyisoflavone, 5,7,4'-Trihydroxyisoflavone, Lactoferrin-genistein, nchembio.76-comp6, Spectrum_000320, Tocris-1110, 1x7r, SpecPlus_000305, Spectrum2_000638, Spectrum3_000678, Spectrum4_001543

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N

• Ginsenoside F1
IUPAC Name: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol | CAS Registry Number: 53963-43-2
Synonyms: CID162741, beta-D-Glucopyranoside, (3beta,6aalpha,12beta)-3,6,12-trihydroxydammar-24-ene-20-yl

Molecular Formula: C36H62O9Molecular Weight: 638.872080 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 9

InChIKey: QLPKLNOLHUEWSE-TTWOHQMCSA-N

• Ginsenoside Rg3
IUPAC Name: (2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-2-yl]oxy-6-[[(10R,12S,13R,14R,17R)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol | CAS Registry Number: 14197-60-5
Synonyms: (20S)-Propanaxadiol, C42H72O13, LS-71507, C097367, beta-D-Glucopyranoside, (3-beta,12-beta)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-, Dammar-24-ene-12-beta,20-diol, 3-beta-((2-O-beta-D-glucopyranosyl-beta-D-glucopyransoyl)oxy)-, 11019-45-7, 12770-19-3, 47891-53-2

Molecular Formula: C42H72O13Molecular Weight: 785.013280 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 13

InChIKey: VXIVCXOKABMNOW-MLLGVTEASA-N

• Ginsenoside Rh2
IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 78214-33-2
Synonyms: Ambap1025, LS-191664, beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl

Molecular Formula: C36H62O8Molecular Weight: 622.872680 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: CKUVNOCSBYYHIS-IRFFNABBSA-N

• Ginsenoside-Rb3
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13R,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 38243-03-7

Molecular Formula: C42H72O13Molecular Weight: 785.013280 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 13

InChIKey: VOWJAFYNABYJKY-LXEHJHAYSA-N

• GLU-TRP
IUPAC Name: 4-amino-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid | CAS Registry Number: 38101-59-6
Synonyms: Thymogen, Glu-trp, CID333386, NSC334073

Molecular Formula: C16H19N3O5Molecular Weight: 333.339160 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: LLEUXCDZPQOJMY-UHFFFAOYSA-N

• Glycochenodeoxycholic Acid Sodium
IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid; sodium | CAS Registry Number: 16564-43-5
Synonyms: Glycochenodeoxycholic acid, sodium salt, NSC681056, CID6331435, 5.beta.-Cholan-24-amide, n-(carboxymethyl)-3.alpha.,7.alpha.-, sodium salt, Glycine, N-[(3.alpha.,5.beta.,7.alpha.)-3,7-dihydroxy-24-oxocholan-24-yl]-, sodium salt

Molecular Formula: C26H43NNaO5Molecular Weight: 472.613090 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: JIHVOAVQLCYLKZ-YRJJIGPTSA-N

• Glycolic Acid
IUPAC Name: 2-hydroxyacetic acid | CAS Registry Number: 79-14-1
Synonyms: glycolic acid, hydroxyacetic acid, glycolate, Glycollic acid, Hydroxyethanoic acid, Acetic acid, hydroxy-, Polyglycolide, Glycocide, 2-Hydroxyacetic acid, GlyPure, Caswell No. 470, Polyglycollic acid, Dexon (polyester), GlyPure 70, GLYCOLLATE, POLYGLYCOLIC ACID, Glycolic acid solution, Poly(L-glycolic acid), alpha-Hydroxyacetic acid, 1-hydroxy-ethanoic acid

Molecular Formula: C2H4O3Molecular Weight: 76.051360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AEMRFAOFKBGASW-UHFFFAOYSA-N

• Gossypol-acetic acid
IUPAC Name: acetic acid; 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde | CAS Registry Number: 12542-36-8
Synonyms: Gossypol acetate, gosspyl acetate, Acetic acid gossypol, Gossypol acetic acid, gossypol-Acetic acid, CCRIS 3483, MLS000028630, (+/-)-Gossypol acetic acid, Gossypol acetate salt, racemic, Racemic gossypol, acetate salt, (-)-Gossypol/ 0.3 HOAc, NSC19048, C29H28O8.C2H4O2, GOSSYPOL-ACETIC ACID COMPLEX, AT 101, AT-101, CID227456, NSC727858, NCGC00178279-01, LS-73084

Molecular Formula: C32H34O10Molecular Weight: 578.606360 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 10

InChIKey: NIOHNDKHQHVLKA-UHFFFAOYSA-N

• GSK-626616
IUPAC Name: (5Z)-2-(2,6-dichloroanilino)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazol-4-one | CAS Registry Number: 1025821-33-3
Synonyms: UNII-OKY0RM282V, OKY0RM282V, SCHEMBL2993698, SCHEMBL13041788, (5Z)-2-(2,6-Dichloroanilino)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolone, 4(5H)-Thiazolone, 2-((2,6-dichlorophenyl)amino)-5-(6-quinoxalinylmethylene)-, (5Z)-

Molecular Formula: C18H10Cl2N4OSMolecular Weight: 401.265 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RJPNRXFBYZVRIB-DHDCSXOGSA-N

• Guanethidine Sulfate
IUPAC Name: 2-[2-(azocan-1-yl)ethyl]guanidine; sulfuric acid | CAS Registry Number: 645-43-2
Synonyms: Ismelin, Esimil, guanethidine sulfate, Guanethidine monosulfate, Ismelin sulfate, Mixture Name, Prestwick_249, Ismelin (TN), GUANETHIDINE, UNII-5UBY8Y002G, Guanethidine sulfate (JP15), 55-65-2 (Parent), SPECTRUM1500323, Guanethidine monosulfate (USP), Guanethidine monosulfate [USAN], EINECS 211-442-0, C10H22N4.H2O4S, CHEBI:389505, CID86471, NCGC00094691-01

Molecular Formula: C10H24N4O4SMolecular Weight: 296.386960 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: YUFWAVFNITUSHI-UHFFFAOYSA-N

• Guanine
IUPAC Name: 2-amino-3,7-dihydropurin-6-one | CAS Registry Number: 73-40-5
Synonyms: guanine, Mearlmaid, Pathocidin, Guanin, Pearl essence, Guanine enol, Stella Polaris, Naturon, Dew Pearl, 2-Amino-6-hydroxypurine, cytosine, 2-Aminohypoxanthine, Natural white 1, Purine analog, 2-Amino-6-purinol, CI Natural white 1, Mearlmaid AA, Natural pearl essence, Hypoxanthine, 2-amino-, 6-Hydroxy-2-aminopurine

Molecular Formula: C5H5N5OMolecular Weight: 151.126100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: UYTPUPDQBNUYGX-UHFFFAOYSA-N

• Guanosine 3',5'-cyclic monophosphate sodium salt
IUPAC Name: sodium 2-amino-9-[(1R,8R)-9-hydroxy-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3H-purin-6-one | CAS Registry Number: 40732-48-7
Synonyms: EINECS 255-056-0, Guanosine, cyclic 3',5'-(hydrogen phosphate), monosodium salt

Molecular Formula: C10H11N5NaO7PMolecular Weight: 367.187171 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: KMPIYXNEROUNOG-GSQOWRMISA-M

• GW 284543
IUPAC Name: 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine | CAS Registry Number: 790186-68-4
Synonyms: GW284543, 6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine, CHEMBL531447, BCP31359, HY-114189, CS-0078813, 6,7-Dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine 790186-68-4, GW-284543; GW 284543; UNC10225170; UNC-10225170; UNC 10225170

Molecular Formula: C23H20N2O3Molecular Weight: 372.400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LEEMRFWMAIVHQY-UHFFFAOYSA-N

• H-D-ASP(OTBU)-OTBU ?HCL
IUPAC Name: ditert-butyl (2R)-2-aminobutanedioate;hydrochloride | CAS Registry Number: 135904-71-1
Synonyms: (R)-Di-tert-butyl 2-aminosuccinate hydrochloride, CTK8B8581, MolPort-016-580-255, ANW-60743, AK-81074, BD227661, KB-210286, (R)-DI-TERT-BUTYL 2-AMINOSUCCINATE HCL

Molecular Formula: C12H24ClNO4Molecular Weight: 281.776260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GVLZIMQSYQDAHB-DDWIOCJRSA-N

• HAT-CN
Synonyms: Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile, SureCN45908, ACT04185, RL00251, AK-43125, FT-0690193, X1021, 1,4,5,8,9,12 -Hexaaza-triphenylene-2,3,6,7,10,11-hexacarbonitrile

Molecular Formula: C18N12Molecular Weight: 384.273000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 12

InChIKey: DKHNGUNXLDCATP-UHFFFAOYSA-N

• HDAC-IN-4
IUPAC Name: N-(2-aminophenyl)-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]benzamide | CAS Registry Number: 934828-12-3
Synonyms: UNII-5TNV87ICD2, 5TNV87ICD2, CXD101, Hdac inhibitor CXD101, SCHEMBL4785187, CXD-101, JHDZMASHNBKTPS-UHFFFAOYSA-N, AZD-9468, EX-A1143, CXD101(AZD-9468), CXD101; AZD-9468, ZINC60328762, AKOS032944942, CS-5964, HY-100748, Benzamide, N-(2-aminophenyl)-4-(1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-4-piperidinyl)-, N-(2-Aminophenyl)-4-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide

Molecular Formula: C24H29N5OMolecular Weight: 403.530 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JHDZMASHNBKTPS-UHFFFAOYSA-N

• HEPARITIN,SULFATE
IUPAC Name: (2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5S)-5-acetamido-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid | CAS Registry Number: 9050-30-0
Synonyms: Heparan sulfate, Heparitin, Heparin sulfate, Heparan sulphate, Heparin monosulfate, Heparitin, sulfate, Heparatan sulfate, a heparan sulfate, Sulfate, Heparan, Heparan N-sulfate, HEPARITIN SULFATE, Sulfate, Heparitin, Heparitin monosulfate, N-Acetylheparan sulfate, EINECS 232-939-9, CPD-11644, D006497

Molecular Formula: C26H42N2O36S5Molecular Weight: 1118.928480 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 37

InChIKey: IBDMHRBUHNTWIP-ZCAFUMHMSA-N


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