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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.

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• 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:	C₁₇H₁₆ClNO	Molecular Weight:	285.768040 [g/mol]
H-Bond Donor:	0	H-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:	C₁₁H₁₀F₃N₃	Molecular Weight:	241.212410 [g/mol]
H-Bond Donor:	1	H-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:	C₁₁H₁₄BrNOS	Molecular Weight:	288.203960 [g/mol]
H-Bond Donor:	1	H-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:	C₂₃H₂₆O₃	Molecular Weight:	350.450740 [g/mol]
H-Bond Donor:	1	H-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:	C₂₄H₂₈O₃	Molecular Weight:	364.477320 [g/mol]
H-Bond Donor:	0	H-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:	C₂₃H₂₇NO₃	Molecular Weight:	365.465380 [g/mol]
H-Bond Donor:	1	H-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:	C₂₄H₃₀O₃	Molecular Weight:	366.493200 [g/mol]
H-Bond Donor:	2	H-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:	C₁₇H₁₄N₄O₂	Molecular Weight:	306.318660 [g/mol]
H-Bond Donor:	2	H-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:	C₈H₉ClO	Molecular Weight:	156.609460 [g/mol]
H-Bond Donor:	0	H-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:	C₇H₈O	Molecular Weight:	108.137820 [g/mol]
H-Bond Donor:	0	H-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:	C₁₂H₂₂O₆	Molecular Weight:	262.299480 [g/mol]
H-Bond Donor:	2	H-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:	C₁₉H₂₇N₅	Molecular Weight:	325.451180 [g/mol]
H-Bond Donor:	0	H-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:	C₁₃H₁₃IO₈	Molecular Weight:	424.141990 [g/mol]
H-Bond Donor:	0	H-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:	C₉H₁₂O	Molecular Weight:	136.190980 [g/mol]
H-Bond Donor:	0	H-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:	C₈H₉N	Molecular Weight:	119.163760 [g/mol]
H-Bond Donor:	0	H-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:	C₂₂H₂₃N₃O₄	Molecular Weight:	393.435720 [g/mol]
H-Bond Donor:	1	H-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:	C₁₈H₂₁NO₄S	Molecular Weight:	347.428640 [g/mol]
H-Bond Donor:	0	H-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:	C₆H₇NO₂S	Molecular Weight:	157.190280 [g/mol]
H-Bond Donor:	0	H-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:	C₅H₈O	Molecular Weight:	84.116420 [g/mol]
H-Bond Donor:	0	H-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:	C₉H₁₂O	Molecular Weight:	136.194 [g/mol]
H-Bond Donor:	0	H-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:	C₈H₉N	Molecular Weight:	119.163760 [g/mol]
H-Bond Donor:	0	H-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:	C₁₆H₁₆N₂O₃S	Molecular Weight:	316.374840 [g/mol]
H-Bond Donor:	1	H-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:	C₂₀H₂₁F₃N₄O	Molecular Weight:	390.402150 [g/mol]
H-Bond Donor:	1	H-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:	C₄₀H₈₀NO₈P	Molecular Weight:	734.038861 [g/mol]
H-Bond Donor:	0	H-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:	C₆H₈O₂	Molecular Weight:	112.126520 [g/mol]
H-Bond Donor:	0	H-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:	C₉H₈O₄	Molecular Weight:	180.157420 [g/mol]
H-Bond Donor:	1	H-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:	0	H-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:	C₉H₁₈N₂O₂	Molecular Weight:	186.251420 [g/mol]
H-Bond Donor:	0	H-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:	C₈H₁₉O₃P	Molecular Weight:	194.208421 [g/mol]
H-Bond Donor:	2	H-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:	C₂₇H₃₀N₄O	Molecular Weight:	426.553300 [g/mol]
H-Bond Donor:	1	H-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:	C₇H₁₄ClN	Molecular Weight:	147.645760 [g/mol]
H-Bond Donor:	0	H-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:	C₂₁H₁₆ClF₃N₄O₃	Molecular Weight:	464.824950 [g/mol]
H-Bond Donor:	3	H-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:	C₄H₅NOS	Molecular Weight:	115.153600 [g/mol]
H-Bond Donor:	1	H-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:	C₄H₅N₃O₂S	Molecular Weight:	159.166400 [g/mol]
H-Bond Donor:	2	H-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:	C₉H₇BrN₄S	Molecular Weight:	283.147 [g/mol]
H-Bond Donor:	2	H-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:	C₁₇H₁₄ClNO₂	Molecular Weight:	299.751560 [g/mol]
H-Bond Donor:	0	H-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:	C₁₅H₁₉N₃O₅	Molecular Weight:	321.328460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: FYCDMKYKGPHRFW-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:	C₁₁H₁₄O₂	Molecular Weight:	178.227660 [g/mol]
H-Bond Donor:	0	H-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:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-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:	C₄₄H₈₈NO₈P	Molecular Weight:	790.145181 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: NRJAVPSFFCBXDT-HUESYALOSA-N

• 5-Thiazolecarboxylic Acid, 2-(3-Formyl-4-Hydroxyphenyl)-4-Methyl-, Ethyl Ester

IUPAC Name: ethyl 2-(3-formyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methyl-3H-1,3-thiazole-5-carboxylate | CAS Registry Number: 161798-01-2
Synonyms: ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate, CTK4D0962, ANW-45559, ZINC39351849, AG-E-11522, KB-02568, KB-50752, Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;, 5-Thiazolecarboxylic acid,2-(3-formyl-4-hydroxyphenyl)-4-methyl-,ethyl ester, 5-Thiazolecarboxylicacid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester

Molecular Formula:	C₁₄H₁₃NO₄S	Molecular Weight:	291.322320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: UIJOKDCOTANGQI-UHFFFAOYSA-N

• 2-methyl-1,3-cyclohexanedione

IUPAC Name: 2-methylcyclohexane-1,3-dione | CAS Registry Number: 1193-55-1
Synonyms: ghl.PD_Mitscher_leg0.98, 1-Methyl-2,6-cyclohexanedione, 2-Methyl-1,3-cyclohexanedione, 2-Methylcyclohexane-1,3-dione, Benzil-related compound, 51, M37935_ALDRICH, 1,3-dimethylcycloadipic ketone, 1,3-Cyclohexanedione, 2-methyl-, NSC54460, EINECS 214-773-9, TL8000517

Molecular Formula:	C₇H₁₀O₂	Molecular Weight:	126.153100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VSGJHHIAMHUZKF-UHFFFAOYSA-N

• 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

Synonyms: 11-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, SureCN3152103, CTK8B9660, ANW-62855, AKOS016004062, AK101594, KB-64801

Molecular Formula:	C₁₇H₁₂ClNO₂	Molecular Weight:	297.735680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KXKUDCTZEMWVDQ-UHFFFAOYSA-N

• 3-Aminophenylacetylene

IUPAC Name: 3-ethynylaniline | CAS Registry Number: 54060-30-9
Synonyms: 3-Ethynylaniline, m-Aminophenylacetylene, Benzenamine, 3-ethynyl-, 498289_ALDRICH, EINECS 258-944-6, ZINC02560531, FS000012, SL-00447

Molecular Formula:	C₈H₇N	Molecular Weight:	117.147880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NNKQLUVBPJEUOR-UHFFFAOYSA-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:	C₄H₈O₃	Molecular Weight:	104.104520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VRAYTNFBRROPJU-UHFFFAOYSA-N

• 4-hydroxy thiobenzamide

IUPAC Name: 4-[amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one | CAS Registry Number: 25984-63-8
Synonyms: ZINC02540612, BB_SC-3474, CID5706487, TL8006921

Molecular Formula:	C₇H₇NOS	Molecular Weight:	153.201580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DOCQBKMMNPJLOR-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:	C₇H₉NO₂	Molecular Weight:	139.151860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DXTVIYLGTPEMKI-UHFFFAOYSA-N

• 1-(Hydroxymethyl)cyclopropaneacetonitrile

IUPAC Name: 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile | CAS Registry Number: 152922-71-9
Synonyms: SBB056220, 1-(Hydroxymethyl)cyclopropaneacetonitril, (1-Hydroxymethyl-cyclopropyl)-acetonitrile, [1-(Hydroxymethyl)cyclopropyl]acetonitrile, 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile, 2-(1-(Hydroxymethyl)cyclopropyl)acetonitrile, PubChem10345, SureCN642970, Jsp002956, CTK8H0609, MolPort-001-770-788, 1-Hydroxymethylcyclopropylacetonitrile, ZINC16125367, AKOS013154494, AC-1173, AG-E-00366, AM84486, RP19021, [1-(Cyanomethyl)cycloprop-1-yl]methanol, 1-(Hydroxymethyl)cyclopropyl acetonitrile

Molecular Formula:	C₆H₉NO	Molecular Weight:	111.141760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WYOMLUMUVAPMKE-UHFFFAOYSA-N

• 2-Chlorobicyclo[2.2.1]hept-5-Ene-2-Carbonitrile

IUPAC Name: 6-chlorobicyclo[2.2.1]hept-2-ene-6-carbonitrile | CAS Registry Number: 6945-87-5
Synonyms: NSC52586, MolPort-001-763-936, CID243233, OR24916

Molecular Formula:	C₈H₈ClN	Molecular Weight:	153.608820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UCYKNDOOVFKJKU-UHFFFAOYSA-N

• 5-Norbornene-2,2-dimethanol

IUPAC Name: [6-(hydroxymethyl)-6-bicyclo[2.2.1]hept-2-enyl]methanol | CAS Registry Number: 6707-12-6
Synonyms: 152188_ALDRICH, MolPort-003-926-713, LTBB002060, CID110917, 2,2-Bis(hydroxymethyl)-5-norbornene, Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol, Bicyclo(2.2.1)hept-5-ene-2,2-dimethanol, N0636, 4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene

Molecular Formula:	C₉H₁₄O₂	Molecular Weight:	154.206260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DSHXMENPUICESR-UHFFFAOYSA-N