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Growingchem (Shanghai). Co., Ltd.

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Profile: Growingchem (Shanghai). Co., Ltd. is a manufacturer of fine chemicals and active pharmaceutical ingredients. Our products include febuxostat, erlotinib, brimonidin D-tartrate, lapatinib and bexarotene intermediates. Our lapatinib intermediates include 5-formyl-2-furylboronic acid, 2-(methylsulfonyl)ethylamine hydrochloride and N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine. Our erlotinib intermediates include 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline, 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one and 3-ethynylaniline.

1 to 50 of 92 Products/Chemicals (Click for related suppliers)  Page: [1] 2 >> Next 50 Results
• Asenapine
Synonyms: Org 5222, Org-5222, EINECS 265-829-4, CID163091, PDSP1_001600, PDSP2_001584, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3-6,7)oxepino(4,5-c)pyrrole, trans-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole

Molecular Formula: C17H16ClNOMolecular Weight: 285.768040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VSWBSWWIRNCQIJ-HUUCEWRRSA-N

• Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-
IUPAC Name: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline | CAS Registry Number: 641571-11-1
Synonyms: 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, SBB070660, 1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole, AG-G-40451, 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZENAMINE, AGN-PC-00JLUU, SureCN589390, 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, BEN745, CTK2F2674, MolPort-008-155-922, ANW-54160, AKOS015842181, MB10071, RP28481, AK-38398, BR-38398, KB-27154, AB1004626, A8805

Molecular Formula: C11H10F3N3Molecular Weight: 241.212410 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WWTGXYAJVXKEKL-UHFFFAOYSA-N

• Benzenecarbothioamide, 3-Bromo-4-(2-Methylpropoxy)-
IUPAC Name: 3-bromo-4-(2-methylpropoxy)benzenecarbothioamide | CAS Registry Number: 208665-96-7
Synonyms: 3-Bromo-4-isobutoxybenzothioamide, CTK0J9647, AKOS015888739, AG-E-53244, RP29979, AK-39095, KB-30248, A4538, FT-0686935, I01-1263, Benzenecarbothioamide, 3-bromo-4-(2-methylpropoxy)-;

Molecular Formula: C11H14BrNOSMolecular Weight: 288.203960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FLDZQWXTSSWIAK-UHFFFAOYSA-N

• Benzoic Acid, 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-Pentamethyl-2-Naphthalenyl)carbonyl]-
IUPAC Name: 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid | CAS Registry Number: 153559-46-7
Synonyms: 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoic acid, Benzoic acid, 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-, SureCN726140, CHEMBL98172, CHEBI:263325, ACT03908, AKOS015896397, QC-1681, AK116552, KB-188501, FT-0656600, ST51053327, A809439, I06-1994, 4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid, 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonyl]benzoic acid, 4-[oxo-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid

Molecular Formula: C23H26O3Molecular Weight: 350.450740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QADGBOQVBUXZKO-UHFFFAOYSA-N

• Benzoic Acid, 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-Pentamethyl-2-Naphthalenyl)carbonyl]-, Methyl Ester
IUPAC Name: methyl 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate | CAS Registry Number: 153559-45-6
Synonyms: Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate, Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl] benzoate, AGN-PC-00EWPV, SureCN3982018, CTK8D3812, ACT03910, ZINC34648208, AKOS015896396, QC-1728, Desmethylene Oxo-bexarotene Methyl Ester, AK116554, FT-0652504, ST51053326, M-1113, A809438, I06-1993, 4-[oxo-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid methyl ester, Methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate, methyl 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate, methyl 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonyl]benzoate

Molecular Formula: C24H28O3Molecular Weight: 364.477320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYVLPJYIGJZAKF-UHFFFAOYSA-N

• Benzoic Acid, 4-[[(5,6,7,8-Tetrahydro-5,5,8,8-Tetramethyl-2-Naphthalenyl)amino]carbonyl]-, Methyl Ester
IUPAC Name: methyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate | CAS Registry Number: 94497-53-7
Synonyms: METHYL 4-((5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CARBAMOYL)BENZOATE, SureCN1615896, AGN-PC-00NH64, CTK3I5599, AG-H-90237, A11084, Methyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate

Molecular Formula: C23H27NO3Molecular Weight: 365.465380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CBBXAIYXFKPCMD-UHFFFAOYSA-N

• Benzoic Acid, 4-[1-Hydroxy-1-(5,6,7,8-Tetrahydro-3,5,5,8,8-Pentamethyl-2-Naphthalenyl)ethyl]-
IUPAC Name: 4-[1-hydroxy-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid | CAS Registry Number: 852524-20-0
Synonyms: Benzoic acid, 4-[1-hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]-, 4-[1-Hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]benzoic acid, SureCN12181027, MolPort-020-001-746, ACT03909, AKOS015896296, AK116553, KB-188567, FT-0655789, ST51051294, A841274, I06-2049, 4-[1-hydroxy-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid, 4-[1-oxidanyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid, 4-(1-Hydroxy-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl)benzoic acid

Molecular Formula: C24H30O3Molecular Weight: 366.493200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QSJOZWPYZHBYNR-UHFFFAOYSA-N

• Benzoic Acid, 4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]amino]-
IUPAC Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid | CAS Registry Number: 641569-94-0
Synonyms: 4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid, SBB063316, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzoicacid, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid, 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid, Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, 4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid, SureCN533540, BEN740, CTK8C3847, MolPort-008-155-923, ANW-70664, AKOS015888621, AK-93453, KB-86531, AB1004625, A8804, AM20090654, FT-0655847, I01-1255

Molecular Formula: C17H14N4O2Molecular Weight: 306.318660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LDLZPHLSVKGFSC-UHFFFAOYSA-N

• Benzyl chloromethyl ether
IUPAC Name: chloromethoxymethylbenzene | CAS Registry Number: 3587-60-8
Synonyms: Benzyloxymethyl chloride, (Chloromethoxymethyl)benzene, chloromethyloxy-methyl-benzene, [(chloromethoxy)methyl]benzene, Benzene, [(chloromethoxy)methyl]-, 13282_FLUKA, EINECS 252-527-2, ZINC02242621, TL80073966, InChI=1/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H, 35364-99-9

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LADPCMZCENPFGV-UHFFFAOYSA-N

• Bicyclo[2.2.1]hept-5-En-2-One
IUPAC Name: bicyclo[2.2.1]hept-2-en-5-one | CAS Registry Number: 694-98-4
Synonyms: Dehydronorcamphor, 2-Norbornenone, 2-Norbornen-5-one, 5-Norbornen-2-one, Norcamphor, dehydro-, Bicyclo(2.2.1)hept-5-en-2-one, Bicyclo[2.2.1]hept-5-en-2-one, NSC152327, Bicyclo(2.2.1)hept-2-en-5-one, Bicyclo[2.2.1]hept-2-en-5-one, CID136511

Molecular Formula: C7H8OMolecular Weight: 108.137820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HUQXEIFQYCVOPD-UHFFFAOYSA-N

• D-Mannitol Diacetonide
IUPAC Name: (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol | CAS Registry Number: 1707-77-3
Synonyms: D-Mannitol diacetonide, Diisopropylidene mannitol, 296406_ALDRICH, 38410_FLUKA, CID96011, EINECS 216-954-8, ZINC04521410, 1,2:5,6-Di-O-isopropylidene-D-mannitol, ST5408125, 1,2-5,6-DI-0-ISOPROPYLIDENE-D-MANNITOL

Molecular Formula: C12H22O6Molecular Weight: 262.299480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ODYBCPSCYHAGHA-ZYUZMQFOSA-N

• Dapiprazole
IUPAC Name: 3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine | CAS Registry Number: 72822-12-9
Synonyms: Glamidolo, Reversil, Dapiprazol [German], Dapiprazole [INN], DAPIRAZOLE, Dapirazol [INN-Spanish], Dapirazolum [INN-Latin], CHEBI:51066, C19H27N5, DB00298, LS-156734, 5,6,7,8-Tetrahydro-3-(2-(4-(o-tolyl)-1-piperazinyl)ethyl)-s-triazolo(4,3-a)pyridine, 1,2,4-Triazolo(4,3-a)pyridine, 5,6,7,8-tetrahydro-3-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-, 3-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-5,6,7,8,-tetrahydro-1,2,4-triazolo(4,3-a)pyridine hydrochloride, 3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,5-a]pyridine, 3-{2-[4-(2-methylphenyl)piperazin-1-yl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine, s-Triazolo(4,3-a)pyridine, 5,6,7,8-tetrahydro-3-(2-(4-(o-tolyl)-1-piperazinyl)ethyl)-,hydrochloride

Molecular Formula: C19H27N5Molecular Weight: 325.451180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: RFWZESUMWJKKRN-UHFFFAOYSA-N

• Dess-Martin Periodinane
IUPAC Name: (9,9-diacetyloxy-7-oxo-9$l^{5}-ioda-8-oxabicyclo[4.3.0]nona-1,3,5-trien-9-yl) acetate | CAS Registry Number: 87413-09-0
Synonyms: Dess-Martin periodinane, 274623_ALDRICH, 559873_ALDRICH, Dess-Martin periodinane solution, ZINC04254179, TL8005678, R00003, 1,1,1-Tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3-(1H)-one, 1,2-Benziodoxol-3(1H)-one, 1,1,1-tris(acetyloxy)-1,1-dihydro-

Molecular Formula: C13H13IO8Molecular Weight: 424.141990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: NKLCNNUWBJBICK-UHFFFAOYSA-N

• Endo-2-Acetyl-5-Norbornene
IUPAC Name: 1-[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]ethanone | CAS Registry Number: 824-60-2
Synonyms: AC1LQSPM, SCHEMBL11689296, ZINC03860843, AJ-46066, CJ-10890, endo-2-Acetylbicyclo[2.2.1]hept-5-ene, 1-[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]ethanone

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NIMLCWCLVJRPFY-VGMNWLOBSA-N

• Endo-Bicyclo[2.2.1]hept-5-Ene-2-Carbonitrile
IUPAC Name: (6R)-bicyclo[2.2.1]hept-2-ene-6-carbonitrile | CAS Registry Number: 2888-90-6
Synonyms: NSC46416, CID240305, BRN 3195856, Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, endo-

Molecular Formula: C8H9NMolecular Weight: 119.163760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BMAXQTDMWYDIJX-RRQHEKLDSA-N

• Erlotinib
IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine | CAS Registry Number: 183321-74-6
Synonyms: Tarceva, erlotinib HCl, Erlotinib [INN], Erlotinib(Tarceva), nchembio866-comp3, OSI-774, STOCK6S-52681, CID176870, DB00530, NCGC00164574-01, BCB03_000783, CP 358774, CP-358774, LS-184395, CP 358,774, CP-358,774, K00241, C400278, N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine, 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-

Molecular Formula: C22H23N3O4Molecular Weight: 393.435720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

• Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
IUPAC Name: ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 161798-03-4
Synonyms: Ethyl2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate, CTK4D0963, MolPort-009-199-845, ACT06264, ANW-44769, SBB066596, ZINC39351848, AKOS005145710, AC-5910, AG-E-11523, QC-6126, RP17958, AK-39091, KB-50753, AM20090756, FT-0659111, Y0387, I09-1307, ethyl 2-(3-formyl-4-iso butoxyphenyl)-4-methylthiazole-5-carboxylate, Ethyl 2-(3-Formyl-4-Isobutoxy Phenyl)-4-Methyl Thiazole-5-Carboxylate

Molecular Formula: C18H21NO4SMolecular Weight: 347.428640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: AIQMFFCWDAIGNV-UHFFFAOYSA-N

• Ethyl thiazole-4-carboxylate
IUPAC Name: ethyl 1,3-thiazole-4-carboxylate | CAS Registry Number: 14527-43-6
Synonyms: ZINC02510760, ethyl 1,3-thiazole-4-carboxylate, ZERO/009532, CID5003096, E2134G1

Molecular Formula: C6H7NO2SMolecular Weight: 157.190280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XDOKFEJMEJKVGX-UHFFFAOYSA-N

• Ethyl Vinyl Ketone
IUPAC Name: pent-1-en-3-one | CAS Registry Number: 1629-58-9
Synonyms: ETHYL VINYL KETONE, 1-Penten-3-one, pentenone, Ethylvinyl ketone, ethylvinylketone, 1-Pentene-3-one, Ketone, ethyl vinyl, Pent-1-en-3-one, FEMA No. 3382, CCRIS 4223, E51309_ALDRICH, W338206_ALDRICH, WLN: 2V1U1, EINECS 216-624-3, NSC 81211, CID15394, NSC81211, BRN 1735857, LS-915, ZINC01574309

Molecular Formula: C5H8OMolecular Weight: 84.116420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JLIDVCMBCGBIEY-UHFFFAOYSA-N

• Exo-5-Acetyl-2-Norbornene
IUPAC Name: 1-[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]ethanone | CAS Registry Number: 824-61-3
Synonyms: EXO-5-ACETYL-2-NORBORNENE, ZINC3860844, ZINC03860844, AJ-46067, CJ-10891, (1beta,4beta)-2beta-Acetylbicyclo[2.2.1]hepta-5-ene

Molecular Formula: C9H12OMolecular Weight: 136.194 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NIMLCWCLVJRPFY-HRDYMLBCSA-N

• Exo-Bicyclo[2.2.1]hept-5-Ene-2-Carbonitrile
IUPAC Name: (6S)-bicyclo[2.2.1]hept-2-ene-6-carbonitrile | CAS Registry Number: 2890-96-2
Synonyms: NSC76083, CID253307, BRN 3195856

Molecular Formula: C8H9NMolecular Weight: 119.163760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BMAXQTDMWYDIJX-KAVNDROISA-N

• Febuxostat
IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid | CAS Registry Number: 144060-53-7
Synonyms: Adenuric, Uloric, Febuxostat [USAN], Tei-6720, Tei 6720, TMX 67, TMX-67, Febuxostat (JAN/USAN/INN), C16H16N2O3S, CID134018, LS-173202, D01206, 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid, 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, TEI

Molecular Formula: C16H16N2O3SMolecular Weight: 316.374840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BQSJTQLCZDPROO-UHFFFAOYSA-N

• Flibanserin
IUPAC Name: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one | CAS Registry Number: 167933-07-5
Synonyms: Ectris, Ectris (TN), Bimt-17, Flibanserin (USAN/INN), BIMT-17-BS, CHEBI:488819, CID6918248, D02577, L001463, 1-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-2(3H)-one

Molecular Formula: C20H21F3N4OMolecular Weight: 390.402150 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: PPRRDFIXUUSXRA-UHFFFAOYSA-N

• L-Alpha-Dipalmitoyl Phosphatidylcholine
IUPAC Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate | CAS Registry Number: 63-89-8
Synonyms: Exosurf, Colfosceril palmitate, DPPC, diPalmitoylphosphatidylcholine, MLS000028586, AIDS001261, Colfosceril palmitate (USAN/INN), AIDS-001261, CID452110, LMGP01010564, 1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE, SMR000058951, 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, D03585, 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-(oxide), labeled with 18O, (R)- (Unspecified 18O labeled)

Molecular Formula: C40H80NO8PMolecular Weight: 734.038861 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: KILNVBDSWZSGLL-KXQOOQHDSA-N

• Methylcycle-D
IUPAC Name: 2-methylcyclopentane-1,3-dione | CAS Registry Number: 765-69-5
Synonyms: Ambap7217, 2-Methyl-1,3-cyclopentadione, 2-METHYL-1,3-CYCLOPENTANEDIONE, 1,3-Cyclopentanedione, 2-methyl-, 2-Methylcyclopentane-1,3-dione, Benzil-related compound, 46, ghl.PD_Mitscher_leg0.841, 117021_ALDRICH, NSC54458, 66515_FLUKA, CID13005, EINECS 212-153-2, TL8005239, AC-907/25014141

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HXZILEQYFQYQCE-UHFFFAOYSA-N

• Mono-methyl terephthalate
IUPAC Name: 4-methoxycarbonylbenzoic acid | CAS Registry Number: 1679-64-7
Synonyms: Methyl terephthalate, Homoterephthalic acid, Monomethyl terephthalate, Methyl hydrogen terephthalate, 4-Methoxycarbonylbenzoic acid, p-Carboxy-alpha-toluic acid, 4-(Carbomethoxy)benzoic acid, 328383_ALDRICH, ARONIS013882, 4-(Methoxycarbonyl)benzoic acid, Terephthalic acid, monomethyl ester, HYDROGEN METHYL TEREPHTHALATE, 86448_FLUKA, HSDB 5849, Acetic acid, (4-carboxyphenyl)-, Terephthalic acid monomethyl ester, AIDS169331, AIDS-169331, CID15513, 1,4-Benzenedicarboxylic acid, monomethyl ester

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: REIDAMBAPLIATC-UHFFFAOYSA-N

• Monomethyl suberate
IUPAC Name: 8-methoxy-8-oxooctanoate | CAS Registry Number: 3946-32-5
Synonyms: ZINC02504409, CID7014868

Molecular Formula: C9H15O4-Molecular Weight: 187.213000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KOVPXZDUVJGGFU-UHFFFAOYSA-M

• N,N'-Dimorpholinomethane
IUPAC Name: 4-(morpholin-4-ylmethyl)morpholine | CAS Registry Number: 5625-90-1
Synonyms: Dimorpholinomethane, Bismorpholino methane, Bis(morpholino-)methan, 4,4-Methylenedimorpholine, 4,4'-Methylenedimorpholine, N,N'-Methylenebismorpholine, Oprea1_332757, Bis(morpholino-)methan [German], Morpholine, 4,4'-methylenebis-, EINECS 227-062-3, CID21839, MORPHOLINE, 4,4'-METHYLENEDI-, BRN 0111886, ZINC19324145, AI3-62944, LS-93136, STT-00259794, 4-27-00-00203 (Beilstein Handbook Reference)

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MIFZZKZNMWTHJK-UHFFFAOYSA-N

• N-Octylphosphonic Acid
IUPAC Name: octylphosphonic acid | CAS Registry Number: 4724-48-5
Synonyms: Octylphosphonic acid, Phosphonic acid, octyl-, Phosphonic acid, P-octyl-, CID78452, EINECS 225-218-5, AI3-22858

Molecular Formula: C8H19O3PMolecular Weight: 194.208421 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NJGCRMAPOWGWMW-UHFFFAOYSA-N

• Oxatomide
IUPAC Name: 3-[3-[4-[di(phenyl)methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one | CAS Registry Number: 60607-34-3
Synonyms: oxatomide, Tinset, Oxatimide, Oxatomida, Celtect, Oxetal, Oxatomide (tinset), Celtect (TN), Oxatomidum [INN-Latin], Oxatomida [INN-Spanish], Lopac-O-9387, CBMicro_024634, Lopac0_000924, McN-JR 35443, Oprea1_338592, MLS000028549, Oxatomide (JAN/USAN/INN), O9387_SIGMA, Oxatomide [USAN:BAN:INN:JAN], C27H30N4O

Molecular Formula: C27H30N4OMolecular Weight: 426.553300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BAINIUMDFURPJM-UHFFFAOYSA-N

• Pyrrolidine, 2-(2-Chloroethyl)-1-Methyl-
IUPAC Name: 2-(2-chloroethyl)-1-methylpyrrolidine | CAS Registry Number: 54777-54-7
Synonyms: NSC141817, CID285093, 2-(2-CHLOROETHYL)-1-METHYLPYRROLIDINE

Molecular Formula: C7H14ClNMolecular Weight: 147.645760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CLVNTYZKUHNUEF-UHFFFAOYSA-N

• Sorafenib
IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide | CAS Registry Number: 284461-73-0
Synonyms: Nexavar, sorafenibum, Sorafenib tosylate, Sorafenib [INN], nchembio.117-comp17, STOCK6S-50043, CHEBI:50924, K00597a, BAY 43-9006, BAY 439006, DB00398, NSC-724772, BAY-43-0006, BAY-43-9006, BAY-54-9085, NCGC00167488-01, LS-186067, LS-187021, LS-187788, N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea

Molecular Formula: C21H16ClF3N4O3Molecular Weight: 464.824950 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

• Thiazole-4-methanol
IUPAC Name: 1,3-thiazol-4-ylmethanol | CAS Registry Number: 7036-04-6
Synonyms: 4-(Hydroxymethyl)thiazole, ZINC02527711, CID2763215, T2165M500

Molecular Formula: C4H5NOSMolecular Weight: 115.153600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WQVOUANKVCYEIQ-UHFFFAOYSA-N

• Thiotriazinone
IUPAC Name: 2-methyl-3-sulfanylidene-1,2,4-triazinane-5,6-dione | CAS Registry Number: 58909-39-0
Synonyms: 549746_ALDRICH, ZINC02556294, EINECS 261-490-1, CID3034640, Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione

Molecular Formula: C4H5N3O2SMolecular Weight: 159.166400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UMWWHOXOVPIGFD-UHFFFAOYSA-N

• Thiourea, N-(5-bromo-6-quinoxalinyl)
IUPAC Name: (5-bromoquinoxalin-6-yl)thiourea | CAS Registry Number: 842138-74-3
Synonyms: 1-(5-Bromoquinoxalin-6-yl)thiourea, N-(5-BROMOQUINOXALIN-6-YL)THIOUREA, Thiourea,N-(5-bromo-6-quinoxalinyl)-, AK163347, C9H7BrN4S, 5-bromoquinoxalin-6-ylthiourea, CTK5F1999, (5-bromoquinoxalin-6-yl)thiourea, MolPort-001-767-537, ZX-AT016140, ZINC16123543, AKOS024464491, AC-5322, AN-6805, OR30470, Thiourea, N-(5-bromo-6-quinoxalinyl)-, HE057793, AX8141511, ST24037433, Z3699

Molecular Formula: C9H7BrN4SMolecular Weight: 283.147 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HURGDIYVXQDVMD-UHFFFAOYSA-N

• trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
Synonyms: SureCN3152476, KB-81196

Molecular Formula: C17H14ClNO2Molecular Weight: 299.751560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OOUVAHYYJVOIIB-CZUORRHYSA-N

• 2-Amino-4-Methoxy-5-(3-Morpholinopropoxy)benzonitrile
IUPAC Name: 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrobenzonitrile | CAS Registry Number: 675126-26-8
Synonyms: 4-Methoxy-5-(3-morpholinopropoxy)-2-nitrobenzonitrile, Benzonitrile, 4-methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitro-, AGN-PC-00EUOJ, SureCN3280339, CTK5C6264, AG-G-55342, RL04568, AM20090611, Y6567, 4-Methoxy-5-(3-morpholinopropoxy)-2-nitrobenzonitrile;, Benzonitrile,4-methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitro-

Molecular Formula: C15H19N3O5Molecular Weight: 321.328460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: FYCDMKYKGPHRFW-UHFFFAOYSA-N

• 2h-Indeno[5,4-B]furan-8-Ethanamine, 1,6,7,8-Tetrahydro-, (8s)-
IUPAC Name: 2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethanamine | CAS Registry Number: 196597-81-6
Synonyms: (S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine, (S)-2-(2,6,7,8-tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethanamine, PubChem19178, 196597-80-5, SureCN340075, CTK8B9649, MolPort-008-155-918, Despropionyl Ramelteon Hydrochloride, ANW-62844, AKOS015901673, AK101605, KB-68780, I14-13989, 2H-Indeno[5,4-b]furan-8-ethanamine,1,6,7,8-tetrahydro-,(8S)-, 6,7,8,9-Tetrahydro-1H-imidazo[4,5-h]isoquinoline Hydrochloride, (S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine Hydrochloride

Molecular Formula: C13H17NOMolecular Weight: 203.280180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BFNUHWYOQCGTCA-JTQLQIEISA-N

• 5,8a-Dimethyl-3,4,8,8a-Tetrahydro-1,6-(2H,7H)-Naphthalenedione
IUPAC Name: 5,8a-dimethyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione | CAS Registry Number: 41019-71-0
Synonyms: NSC179336, AC1L6YK0, SureCN12142647, CTK8I6453, NSC-179336, KB-196383, 5,8a-dimethyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione, 5,8a-dimethyl-3,4,8,8a-tetrahydro-1,6-(2h,7h)-naphthalenedione, 28255-08-5

Molecular Formula: C12H16O2Molecular Weight: 192.254240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YMSJMUXZPBXLSI-UHFFFAOYSA-N

• 1-(Mercaptomethyl)cyclopropyl acetic acid
IUPAC Name: 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid | CAS Registry Number: 162515-68-6
Synonyms: 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid, 1-(Mercaptomethyl)cyclopropaneacetic Acid, SBB053445, AG-E-12320, 1-(Mercaptomethyl)cyclopropaneaceticacid, 1-(Mercaptomethyl)-Cyclopropaneacetic Acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, 2-[(sulfanylmethyl)cyclopropyl]acetic acid, ACMC-209doh, UNII-1X00T93WYX, KSC174S2B, Jsp003256, CTK0H4920, MolPort-001-767-786, AMX10105, ANW-21999, AKOS006379354, AM84551, MCULE-2805511819, 1-(Mercaptomethyl)cyclopropylacetic acid

Molecular Formula: C6H10O2SMolecular Weight: 146.207400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VFAXPOVKNPTBTM-UHFFFAOYSA-N

• 5-Norbornene-2-Carboxaldehyde
IUPAC Name: bicyclo[2.2.1]hept-2-ene-6-carbaldehyde | CAS Registry Number: 5453-80-5
Synonyms: 5-Norbornene-2-carboxaldehyde, 5-Formylbicyclohept-2-ene, 5-Norbornane-2-carboxaldehyde, 109371_ALDRICH, 14352_FLUKA, BB_NC-0286, NSC18897, EINECS 226-698-9, NSC 18897, SBB005755, Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, AI3-10023, Bicyclo(2.2.1)hept-5-ene-2-carbaldehyde, TL8003576, Bicyclo(2.2.1)hept-5-ene-2-carboxaldehyde

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AJIBZRIAUXVGQJ-UHFFFAOYSA-N

• 6-amino-5-bromoquinoxaline
IUPAC Name: 5-bromoquinoxalin-6-amine | CAS Registry Number: 50358-63-9
Synonyms: 6-Amino-5-bromoquinoxaline, 5-BROMOQUINOXALIN-6-AMINE, 5-bromo-6-quinoxalinamine, SBB054605, AG-F-69299, PubChem15452, SureCN180196, 6-Quinoxalinamine,5-bromo-, 5-bromoquinoxaline-6-ylamine, KSC592K1D, 6-Quinoxalinamine, 5-bromo-, ARONIS24444, CTK4J2511, MolPort-001-767-520, AGN-PC-003139, AC-193, ANW-49470, BBL023036, STL356016, ZINC16123529

Molecular Formula: C8H6BrN3Molecular Weight: 224.057340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IRAOSCSPAYZRJE-UHFFFAOYSA-N

• 9-Methyl-5(10)-Octaline-1,6-Dione
IUPAC Name: 8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione | CAS Registry Number: 20007-72-1
Synonyms: Wieland-Michler ketone, Miescher-Wieland ketone, Wieland-Miescher ketone, M65157_ALDRICH, MLS002694757, NSC87581, MolPort-001-781-972, CID89262, EINECS 243-463-6, SMR001560678, LT00233231, 9-(S)-Methyl-.delta.-5(10)-octalin-1,6-dione, 9(S)-Methyl-delta-5(10)-octalin-1,6-dione, (+/-)-9-Methyl-5(10)-octaline-1,6-dione, 8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione, 8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-quinone, 3,4,8,8a-Tetrahydro-8a-methyl-(2H,7H)naphthalene-1,6-dione, 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-, (+/-)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione, 33878-99-8

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DNHDRUMZDHWHKG-UHFFFAOYSA-N

• 7a-Methyl-2,3,5,6,7,7a-Hexahydro-1H-Indene-1,5-Dione
IUPAC Name: 7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione | CAS Registry Number: 19576-08-0
Synonyms: 2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione, 7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione, Hajos-Parrish Ketone, ACMC-209eab, ACMC-209ezs, AC1LC8OM, SureCN2549762, CTK8B1114, MolPort-002-904-272, ANW-23702, CCG-54408, AKOS000279607, AG-E-43124, KB-46032, FT-0637879, 7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione, SR-01000643505-1, I14-33909, 7a-methyl-2,3,5,6,7,7a-hexahydro-1H-indene-1,5-dione, 1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-methyl-

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FNYAZSZTENLTRT-UHFFFAOYSA-N

• 1,2-Distearoyl-Sn-Glycero-3-Phosphocholine
IUPAC Name: [(2R)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate | CAS Registry Number: 816-94-4
Synonyms: DSPC, P1138_SIGMA, CID94190, 1,2-Distearoyl-sn-3-phosphacholine, EINECS 212-440-2, NSC725285, L-beta,gamma,Disteroyl-alpha-lecithin, L-beta,gamma-Distearoyl-alpha-lecithin, L-alpha-Phosphatidylcholine, distearoyl, 1,2-Distearoyl-sn-glycero-3-phosphocholine, 1,2-Distearoyl-sn-glycerophosphocholine, 3-sn-Phosphatidylcholine, 1,2-distearoyl, (R)-(7-Lauroyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphaheptacosyl)trimethylammonium 4-oxide, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-, hydroxide, inner salt, 4-oxide, (R)-, 4-Hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-3,5,9-trioxa-4-phosphaheptacosan-1-aminium hydroxide, inner salt, 4-oxide, (R)-

Molecular Formula: C44H88NO8PMolecular Weight: 790.145181 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: NRJAVPSFFCBXDT-HUESYALOSA-N

• 2-Methoxy-1,3-Dioxolane
IUPAC Name: 2-methoxy-1,3-dioxolane | CAS Registry Number: 19693-75-5
Synonyms: 2-METHOXY-1,3-DIOXOLANE, 1,3-Dioxolane, 2-methoxy-, 217050_ALDRICH, MolPort-001-785-020, CID29744, EINECS 243-229-3, ZINC03861532, M0816

Molecular Formula: C4H8O3Molecular Weight: 104.104520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VRAYTNFBRROPJU-UHFFFAOYSA-N

• 5-Nitro-2-Norbornene
IUPAC Name: 5-nitrobicyclo[2.2.1]hept-2-ene | CAS Registry Number: 768-16-1
Synonyms: 6-NITROBICYCLO[2.2.1]HEPT-2-ENE, 874-44-2, 5-nitrobicyclo[2.2.1]hept-2-ene, NSC92358, 5-nitro-2-norbornene, AC1L5EHY, SureCN3677464, NCIOpen2_001380, CTK5F8455, MolPort-001-788-453, NSC16141, NSC-16141, NSC-92358, AG-K-81245, KB-198119, KB-199610, Bicyclo[2.2.1]hept-2-ene,5-nitro-, (1R,4R,5R)-rel-, 2-Norbornene,5-nitro-, endo- (8CI);Bicyclo[2.2.1]hept-2-ene, 5-nitro-, endo-;5-endo-Nitrobicyclo[2.2.1]hept-2-ene;5-endo-Nitronorbornene;NSC 16141;NSC92358;endo-5-Nitro-2-norbornene;

Molecular Formula: C7H9NO2Molecular Weight: 139.151860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DXTVIYLGTPEMKI-UHFFFAOYSA-N

• 5-Formylfuran-2-boronic Acid
IUPAC Name: (5-formylfuran-2-yl)boronic acid | CAS Registry Number: 27329-70-0
Synonyms: 5-Formyl-2-furanboronic acid, 5-formyl-2-furylboronic acid, 2-Formylfuran-5-boronic acid, 512346_ALDRICH, SBB004171, CID2734355, F3420G1, TL8007120, AI-372/25005759

Molecular Formula: C5H5BO4Molecular Weight: 139.901800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JUWYQISLQJRRNT-UHFFFAOYSA-N

• 2-aminoethylmethylsulfone Hydrochloride
IUPAC Name: 2-methylsulfonylethanamine;hydrochloride | CAS Registry Number: 104458-24-4
Synonyms: 2-Aminoethylmethylsulfone hydrochloride, 2-(methylsulfonyl)ethanamine hydrochloride, 2-Aminoethylmethylsulphone hydrochloride, SBB070078, 2-methanesulfonylethan-1-amine hydrochloride, 2-aminoethylmethylsulfone, AGN-PC-01LQRD, AC1Q3C5U, 2-(methylsulfonyl)ethaneamine, KSC494M5P, ACMC-2098c3, AES-M01-1, CTK3J4657, MolPort-001-760-137, ACN-S003783, 2-AMINOETHYLMETHYLSULFONE HCL, ANW-15073, AR2651, AKOS015849429, AG-A-36993

Molecular Formula: C3H10ClNO2SMolecular Weight: 159.635000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AMYYUKGKCJKCBI-UHFFFAOYSA-N

• 4,4-Dimethyl-6-ethynylthiochroman
IUPAC Name: 6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene | CAS Registry Number: 118292-06-1
Synonyms: 6-Ethynyl-4,4-dimethylthiochroman, 6-ethynyl-4,4-dimethyl-thiochroman, AG-D-40583, 4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN, 2H-1-Benzothiopyran,6-ethynyl-3,4-dihydro-4,4-dimethyl-, PubChem16384, ACMC-209v4g, CTK4B0628, MolPort-005-941-597, ACT06746, ANW-44606, SBB066418, ZINC01537155, AKOS015842169, AC-6225, LS40077, RL00697, RP25956, RP25957, AK-77046

Molecular Formula: C13H14SMolecular Weight: 202.315260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KVHNVHGCQWNGLG-UHFFFAOYSA-N


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