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Shanghai Apichemical Co., Ltd.

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Profile: Shanghai Apichemical Co., Ltd. specializes in the design, synthesis, sales and outsourcing of organic compounds for the pharmaceutical, drug discovery, agrochemical & biotechnology industries. Our product line includes C-cyclopentyl-methylamine hydrochloride, 2-aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester hydrochloride, 4-aminomethyl-piperidine-1-carboxylic acid benzyl ester hydrochloride, 2-aminomethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester, 2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester and (R)-2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester.

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• Afloqualone
IUPAC Name: 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one | CAS Registry Number: 56287-74-2
Synonyms: afloqualone, Arofuto, Afloqualon, Aroft, Airomate, Airomate (TN), Afloqualone [INN:JAN], Afloqualonum [INN-Latin], Afloqualona [INN-Spanish], Afloqualone (JP15/INN), C16H14FN3O, CID2040, HQ 495, BRN 0819769, HQ-495, LS-140303, D01638, 5-25-15-00102 (Beilstein Handbook Reference), 6-Amino-2-(fluoromethyl)-3-o-tolyl-4(3H)-chinazolinon, C033541

Molecular Formula: C16H14FN3OMolecular Weight: 283.300263 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VDOSWXIDETXFET-UHFFFAOYSA-N

• Benzenamine, 4-bromo-3,5-difluoro-
IUPAC Name: 4-bromo-3,5-difluoroaniline | CAS Registry Number: 203302-95-8
Synonyms: 4-Bromo-3,5-difluoroaniline, 3,5-difluoro-4-bromoaniline, 4-bromo-3,5-difluoro-phenylamine, benzenamine, 4-bromo-3,5-difluoro-, 4-bromo-3,5-difluorobenzenamine, 4-bromo-3,5-difluoro-Benzenamine, ST50827370, 4-bromo-3,5-difluorophenylamine, BUTTPARK 35\03-50, ZINC02560292, PubChem2219, ACMC-1CHYW, SureCN238421, AC1MC56R, KSC494O8P, 3,5-Difluoro-4-bromoaniline;, CTK3J4787, MolPort-000-151-897, WT061, ANW-24023

Molecular Formula: C6H4BrF2NMolecular Weight: 208.003466 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DKKUSFDAHRASGO-UHFFFAOYSA-N

• Benzyl 4-(chlorosulfonyl)piperidine-1-Carboxylate
IUPAC Name: benzyl 4-chlorosulfonylpiperidine-1-carboxylate | CAS Registry Number: 287953-54-2
Synonyms: benzyl 4-(chlorosulfonyl)piperidine-1-carboxylate, N-CBZ-4-piperidine sulfonyl chloride, N-Benzyloxycarbonyl-4-piperidinesulfonyl chloride, SBB066429, N-benzyloxycarbonyl-4-piperidine sulfonyl chloride, N-Benzoyloxycarbonyl-4-piperidine sulfonyl chloride, phenylmethyl 4-(chlorosulfonyl)piperidinecarboxylate, BENZYL 4-(CHLOROSULFONYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE, (phenylmethyl) 4-chloranylsulfonylpiperidine-1-carboxylate, 4-chlorosulfonyl-1-piperidinecarboxylic acid (phenylmethyl) ester, PubChem16159, AC1Q3VO8, Jsp005489, CTK7G2855, MolPort-001-768-762, ANW-45833, AKOS015850687, AB22398, AG-B-15122, AK-72502

Molecular Formula: C13H16ClNO4SMolecular Weight: 317.788440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HEGCWAOVTPVFBJ-UHFFFAOYSA-N

• Bis(pinacolato)diborane
IUPAC Name: 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane | CAS Registry Number: 73183-34-3
Synonyms: Bis(pinacolato)diboron, 473294_ALDRICH, BM002, TL806136, ST5405861, TL8006639, 4,4,4',4',5,5,5',5'-Octamethyl-2,2'-bi-1,3,2-dioxaborolane

Molecular Formula: C12H24B2O4Molecular Weight: 253.938560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IPWKHHSGDUIRAH-UHFFFAOYSA-N

• Bis(pinacolato)diboron (CAS: 3183-34-3)
• Boc-L-alaninal
IUPAC Name: tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate | CAS Registry Number: 79069-50-4
Synonyms: Boc-L-alanine aldehyde, Boc-Ala-Aldehyde, AG-H-17049, (S)-tert-Butyl (1-oxopropan-2-yl)carbamate, AC1Q29KO, AC1Q29KP, B1403_SIGMA, CHEMBL94727, CTK5E6419, CHEBI:252932, ANW-43421, AKOS005146520, AKOS015840143, LS30038, (S)-t-butyl 1-oxopropan-2-yl carbamate, AK-43381, KB-48246, FT-0694862, tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate, (1-Methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

Molecular Formula: C8H15NO3Molecular Weight: 173.209600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OEQRZPWMXXJEKU-LURJTMIESA-N

• BOC-L-Phenylalaninol
IUPAC Name: tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate | CAS Registry Number: 66605-57-0
Synonyms: Boc-D-phenylalaninol, Boc-L-phenylalaninol, 421685_ALDRICH, 479594_ALDRICH, 15489_FLUKA, ZINC02554976, N-(tert-Butoxycarbonyl)-D-phenylalaninol, N-(tert-Butoxycarbonyl)-L-phenylalaninol, (R)-2-(Boc-amino)-3-phenyl-1-propanol, (S)-2-(Boc-amino)-3-phenyl-1-propanol, A00222, (R)-()-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol, (S)-(−)-2-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol

Molecular Formula: C14H21NO3Molecular Weight: 251.321440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LDKDMDVMMCXTMO-LBPRGKRZSA-N

• Boc-Phe-Cho
IUPAC Name: tert-butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate | CAS Registry Number: 72155-45-4
Synonyms: N-Boc-L-phenylalaninal, 469297_ALDRICH, ZINC01886491, (S)-(−)-2-(tert-Butoxycarbonylamino)-3-phenylpropanal

Molecular Formula: C14H19NO3Molecular Weight: 249.305560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZJTYRNPLVNMVPQ-LBPRGKRZSA-N

• BOC-PYR-OET
IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate | CAS Registry Number: 144978-12-1
Synonyms: AmbTiB67303, UPCMLD00WCRH2-043, ZINC00337466, ZINC04100882, UPCMLD00WCRH2-043:002, N-Boc-L-pyroglutamic acid ethyl ester, CID5461186, B67303

Molecular Formula: C12H19NO5Molecular Weight: 257.282960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YWWWGFSJHCFVOW-QMMMGPOBSA-N

• BOC-trans-4-tosyloxy-L-proline methyl ester
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-(4-methylphenyl)sulfonyloxypyrrolidine-1,2-dicarboxylate | CAS Registry Number: 88043-21-4
Synonyms: Boc-trans-4-Tosyloxy-L-proline methyl ester, (2S,4R)-4-[[(4-Methylphenyl)sulfonyl]oxy]-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 2-Methyl Ester, (2S,4R)-4-{[(4-Methylphenyl)sulfonyl]oxy]-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester, KSC659E9J, CTK5F9294, (4R)-4-TsO-N-Boc-Pro-OMe, ANW-54650, AKOS015856721, AKOS016001244, AG-H-54985, AK-44921, KB-75745, N-Boc-Trans-4-Tosyloxy-L-Proline Methyl Ester, N-Boc-trans-4-(p-tosyloxy)-L-proline methyl ester, trans-N-tert-Butyloxycarbonyl-4-tosyloxy-L-proline Methyl Ester, tert-Butyl Methyl (2S,4R)-4-[[(4-Methylphenyl)sulfonyl]oxy]pyrrolidine-1,2-dicarboxylate, 1,2-Pyrrolidinedicarboxylicacid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1-(1,1-dimethylethyl) 2-methyl ester,(2S,4R)-, 1,2-Pyrrolidinedicarboxylicacid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1-(1,1-dimethylethyl) 2-methyl ester,(2S-trans)-; tert-Butyl methyl(2S,4R)-4-[[(4-methylphenyl)sulfonyl]oxy]pyrrolidine-1,2-dicarboxylate

Molecular Formula: C18H25NO7SMolecular Weight: 399.458600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: UKVKNGDXVREPDE-HIFRSBDPSA-N

• Bromocyclobutane
IUPAC Name: bromocyclobutane | CAS Registry Number: 4399-47-7
Synonyms: Cyclobutyl bromide, 226998_ALDRICH, 16780_FLUKA, EINECS 224-530-9, InChI=1/C4H7Br/c5-4-2-1-3-4/h4H,1-3H

Molecular Formula: C4H7BrMolecular Weight: 135.002380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KXVUSQIDCZRUKF-UHFFFAOYSA-N

• bupropion HCl
IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one hydrochloride | CAS Registry Number: 31677-93-7
Synonyms: Bupropion hydrochloride, Wellbutrin, Zyban, Wellbutrin SR, Wellbutrin XL, Wellbatrin, Elontril, Quomem, Voxra, Wellbutrin XR, Wellbutrin Retard, Wellbutrin (TN), Prestwick_668, Zyban (pharmaceutical), Amfebutamon hydrochlorid, Zyban (TN), Amfebutamone hydrochloride, B102_SIGMA, HSDB 6988, MLS000069376

Molecular Formula: C13H19Cl2NOMolecular Weight: 276.202060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HEYVINCGKDONRU-UHFFFAOYSA-N

• Carbamic acid, 1,6-hexanediylbis-, bis(9H-fluoren-9-ylmethyl) ester
IUPAC Name: 9H-fluoren-9-ylmethyl N-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexyl]carbamate | CAS Registry Number: 296247-94-4
Synonyms: SCHEMBL793384, CTK8I0671, AKOS015840947, Carbamicacid,1,6-hexanediylbis-,bis ester

Molecular Formula: C36H36N2O4Molecular Weight: 560.682040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XRAMEHQSATYLEQ-UHFFFAOYSA-N

• Carbamic Acid, N-[(3R)-Tetrahydro-5-Oxo-3-Furanyl]-, Phenylmethyl Ester
IUPAC Name: benzyl N-[(3R)-5-oxooxolan-3-yl]carbamate | CAS Registry Number: 118399-28-3
Synonyms: Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate, (R)-Benzyl-5-oxo-tetrahydro-furan-3-ylcarbamate, (R)-3-(Cbz-amino)-5-oxotetrahydrofuran, benzyl N-[(3R)-5-oxooxolan-3-yl]carbamate, (R)-Benzyl 5-oxotetrahydrofuran-3-ylcarbamate, PubChem7159, AC1LF5ER, SureCN382338, Oprea1_012853, KSC496S3P, CTK3J6937, MolPort-003-983-975, Cbz-R-3-Amino-gamma-butyrolactone, ACT04383, ANW-52371, ZINC00074706, AKOS005146348, AKOS015855249, AC-5674, AG-A-07554

Molecular Formula: C12H13NO4Molecular Weight: 235.235920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BNIBNUOPVTZWRT-SNVBAGLBSA-N

• Cyclopent[b]indole, 7-(2,2-diphenylethenyl)-1,2,3,3a,4,8b-hexahydro-4-(4-methylphenyl)-
IUPAC Name: 7-(2,2-diphenylethenyl)-4-(4-methylphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole | CAS Registry Number: 213670-22-5
Synonyms: 7-(2,2-Diphenylvinyl)-4-p-tolyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole, 7-(2,2-Diphenylvinyl)-4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole, SureCN10057480, CTK8B9242, MolPort-008-266-380, ANW-62259, QC-615, AKOS015840548, AK102294, KB-199683, FT-0654348, ST51053358, A815292, I06-2068, S14-0913, 7-(2,2-Diphenylethenyl)-1,2,3,3a,4,8b-hexahydro-4-(4-methylphenyl)-cyclopent[b] indole, 7-(2,2-Diphenylethenyl)-1,2,3,3a,4,8b-hexahydro-4-(4-methylphenyl)-cyclopent[b]indole, 7-(2,2-diphenylethenyl)-1,2,3,3a,4,8b-hexahydro-4-(4-methylphenyl)cyclopent[b]indole, 7-(2,2-diphenylethenyl)-4-(4-methylphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

Molecular Formula: C32H29NMolecular Weight: 427.579360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QZEOZXJABDDEGH-UHFFFAOYSA-N

• D-(+)-Camphor Sulphonic Acid
IUPAC Name: [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid | CAS Registry Number: 3144-16-9
Synonyms: d-Camphorsulfonic acid, 282146_ALDRICH, (1R)-Camphor-10-sulfonic acid, (−)-Camphor-10-sulfonic acid, (1R)-(−)-10-Camphorsulfonic acid, (1R)-(−)-Camphor-10-sulfonic acid

Molecular Formula: C10H16O4SMolecular Weight: 232.296640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIOPJNTWMNEORI-XVKPBYJWSA-N

• D-erythro-Pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-, ethyl ester (9CI)
IUPAC Name: ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate | CAS Registry Number: 95058-92-7
Synonyms: Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate, ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate, 114420-06-3, AGN-PC-00DKXM, SureCN2251318, MolPort-019-918-637, AKOS015912182, AK-32233, AK-56649, BR-32233, KB-252763, ST51055378, W9723, A845158, I14-6258, I14-36714, 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid ethyl ester, ethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanoate, ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-bis(fluoranyl)-3-oxidanyl-propanoate

Molecular Formula: C10H16F2O5Molecular Weight: 254.227846 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: OUFRYOWGFSOSEY-UHFFFAOYSA-N

• Di-P-Anisoyl-L-Tartaric Acid
IUPAC Name: (2R,3R)-2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid | CAS Registry Number: 50583-51-2
Synonyms: (2R,3R)-2,3-Bis((4-methoxybenzoyl)oxy)succinic acid, PubChem6038, SureCN249567, MolPort-003-983-940, ANW-60502, AKOS000277926, AC-3425, AK-96060, TL8001566, D3491

Molecular Formula: C20H18O10Molecular Weight: 418.350920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: KWWCVCFQHGKOMI-HZPDHXFCSA-N

• Diethyl benzhydrylphosphonate
IUPAC Name: [diethoxyphosphoryl(phenyl)methyl]benzene | CAS Registry Number: 27329-60-8
Synonyms: Diethyl benzhydryl phosphonate, diethyl diphenylmethylphosphonate, Diethyl (diphenylmethyl)phosphonate, Phosphonic acid, (diphenylmethyl)-, diethyl ester, diethyl diphenylmethylphosphite, SCHEMBL2281034, OYOMHOZYNVZMBD-UHFFFAOYSA-N, SVSCLSTYANOQQX-UHFFFAOYSA-N, CS-B1366, ZINC38440298, AKOS015915245, Benzhydrylphosphonic acid diethyl ester, ACN-029647, [diethoxyphosphoryl(phenyl)methyl]benzene, AS-59975, 329D608, A819021

Molecular Formula: C17H21O3PMolecular Weight: 304.320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SVSCLSTYANOQQX-UHFFFAOYSA-N

• Dimethyl 4,5-imidazoledicarboxylate
IUPAC Name: dimethyl 1H-imidazole-4,5-dicarboxylate | CAS Registry Number: 3304-70-9
Synonyms: TimTec1_005020, Dimethyl imidazole-4,5-dicarboxylate, MLS000767417, ZERO/008399, Dimethyl 4,5-imidazole-dicarboxylate, AIDS020248, AIDS-020248, NSC44628, NSC44693, NSC 44628, NSC 44693, ZINC00039577, SMR000429771, Imidazole-4,5-dicarboxylic acid, dimethyl ester, 1H-Imidazole-4,5-dicarboxylic acid, dimethyl ester, 4,5-Imidazoledicarboxylic acid, dimethyl ester, 1H-Imidazole-4,5-dicarboxylic acid dimethyl ester

Molecular Formula: C7H8N2O4Molecular Weight: 184.149420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: CUIWFAXEALIQJS-UHFFFAOYSA-N

• Dimethylbisdiphenylphosphinoxanthene
IUPAC Name: 2-bromo-3-hexyl-5-iodothiophene | CAS Registry Number: 160096-76-4
Synonyms: 2-Bromo-5-iodo-3-hexylthiophene, 2-BROMO-3-HEXYL-5-IODOTHIOPHENE, ACMC-209dkm, AGN-PC-009TXI, SureCN2855161, CTK4D0323, 2-Bromo-3-hexyl-5-iodo-thiophene;, ANW-21860, Thiophene,2-bromo-3-hexyl-5-iodo-, AKOS015909607, Thiophene, 2-bromo-3-hexyl-5-iodo-, AG-E-09518, BCP9000094, RL02055, 2-bromanyl-3-hexyl-5-iodanyl-thiophene, AK-63165, KB-21468, B3865, X4157, A810107

Molecular Formula: C10H14BrISMolecular Weight: 373.091630 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SDMKEQYHISDGKT-UHFFFAOYSA-N

• Diphenyl Diselenide
IUPAC Name: phenyldiselanylbenzene | CAS Registry Number: 1666-13-3
Synonyms: Phenyl diselenide, Diphenyl diselenide, Diselenide, diphenyl, Diphenyldiselenide, Bis(phenylselenide), Ambap78, Phenyl diselenide (8CI), DISELENIDE, DIPHENYL-, 180629_ALDRICH, CCRIS 9227, EINECS 216-780-2, NSC 49763, NSC49763, LS-62982, InChI=1/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10

Molecular Formula: C12H10Se2Molecular Weight: 312.127800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YWWZCHLUQSHMCL-UHFFFAOYSA-N

• Drospirenone
Synonyms: Dehydrospirorenone, Dihydrospirorenone, Yasmin, 1,2-Dihydrospirorenone, Drospirenone [INN], DRSP, 1,2-dihydro-spirorenone, Drospirenonum [INN-Latin], Drospirenona [INN-Spanish], 1, 2-Dihydrospirorenone, Drospirenone (USAN/INN), CCRIS 6523, CHEBI:50838, EINECS 266-679-2, ZK 30595, C24H30O3, ZK30595, BRN 4765500, SH-470, DB01395

Molecular Formula: C24H30O3Molecular Weight: 366.493200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: METQSPRSQINEEU-HXCATZOESA-N

• Ethyl 2,4-dioxovalerate
IUPAC Name: ethyl 2,4-dioxopentanoate | CAS Registry Number: 615-79-2
Synonyms: Ethyl acetopyruvate, Ethyl acetonoxalate, Ethyl 2,4-dioxopentanoate, NCIOpen2_001802, 232564_ALDRICH, NSC1243, AIDS191385, AIDS-191385, CID69208, EINECS 210-447-5, SBB008612, Pentanoic acid, 2,4-dioxo-, ethyl ester, FR-2325, AI3-01354, 2,4-DIOXOPENTANOIC ACID, ETHYL ESTER

Molecular Formula: C7H10O4Molecular Weight: 158.151900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OYQVQWIASIXXRT-UHFFFAOYSA-N

• Ethyl 2-aminothiazole-4-carboxylate
IUPAC Name: ethyl 2-amino-1,3-thiazole-4-carboxylate | CAS Registry Number: 5398-36-7
Synonyms: TimTec1_000957, Oprea1_347195, Oprea1_396207, NSC4464, AIDS073075, AIDS-073075, ALBB-005840, NSC 4464, NSC43547, NSC 43547, SBB000178, ZINC01246200, E2339G1, SDCCGMLS-0065431.P001, SDCCGMLS-0065431.P002, NCGC00174941-01, BAS 00084455, ethyl 2-amino-1,3-thiazole-4-carboxylate, AI3-18592, TL8003539

Molecular Formula: C6H8N2O2SMolecular Weight: 172.204920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XHFUVBWCMLLKOZ-UHFFFAOYSA-N

• Ethyl 2-bromothiazole-4-carboxylate
IUPAC Name: ethyl 2-bromo-1,3-thiazole-4-carboxylate | CAS Registry Number: 100367-77-9
Synonyms: NSC603614, ZINC01608352, E2133G1

Molecular Formula: C6H6BrNO2SMolecular Weight: 236.086340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CNHISCQPKKGDPO-UHFFFAOYSA-N

• Ethyl 3-ethoxy-3-iminopropionate hydrochloride
IUPAC Name: ethyl 3-ethoxy-3-iminopropanoate hydrochloride | CAS Registry Number: 2318-25-4
Synonyms: 05563_FLUKA, EINECS 219-028-1, Ethyl carbethoxyacetimidate hydrochloride, Diethyl malonmonoimidate hydrochloride, NSC104122, NSC 104122, SL-00129, Ethyl 3-ethoxy-3-imino-propionate hydrochloride, Ethyl beta-ethoxy-beta-iminopropionate hydrochloride, Acetic acid, (1-ethoxyformimidoyl)-, ethyl ester, hydrochloride, Ethyl .beta.-ethoxy-.beta.-iminopropionate hydrochloride, Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride, 165895-16-9

Molecular Formula: C7H14ClNO3Molecular Weight: 195.643960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HYMXUYQKXCHWDC-UHFFFAOYSA-N

• Ethyl 4-(butylamino)benzoate
IUPAC Name: ethyl 4-(butylamino)benzoate | CAS Registry Number: 94-32-6
Synonyms: Ethyl p-butylaminobenzoate, 439835_ALDRICH, Ethyl-(4-n-butylamino)benzoate, CID66746, EINECS 202-322-9, SBB000607, ZINC01848484, Benzoic acid, 4-(butylamino)-, ethyl ester, InChI=1/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H

Molecular Formula: C13H19NO2Molecular Weight: 221.295460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GTXRSQYDLPYYNW-UHFFFAOYSA-N

• Ethyl-2-Phenylacrylate
IUPAC Name: ethyl 2-phenylprop-2-enoate | CAS Registry Number: 22286-82-4
Synonyms: Ethyl atropate, Ethyl methylenephenylacetate, EINECS 244-892-1, ZINC05226236, Benzeneacetic acid, alpha-methylene-, ethyl ester

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BOIWYTYYWPXGAT-UHFFFAOYSA-N

• Fipronil
IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile | CAS Registry Number: 120068-37-3
Synonyms: fipronil, Regent, Fipronil (JAN), Fipronil [ISO], UPCMLD-DP011, C12H4Cl2F6N4OS, CBiol_001754, BSPBio_001315, BSPBio_002266, KBioGR_000035, KBioSS_000035, HSDB 7051, SPECTRUM1505354, 46451_RIEDEL, CHEBI:5063, UPCMLD-DP011:001, UPCMLD-DP011:002, BCBcMAP01_000152, KBio2_000035, KBio2_002603

Molecular Formula: C12H4Cl2F6N4OSMolecular Weight: 437.147779 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N

• HATU
IUPAC Name: [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium | CAS Registry Number: 148893-10-1
Synonyms: ZINC00396137, CID4641409

Molecular Formula: C10H15N6O+Molecular Weight: 235.265700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WXIONIWNXBAHRU-UHFFFAOYSA-N

• Isonipecotamide
IUPAC Name: piperidine-4-carboxamide | CAS Registry Number: 39546-32-2
Synonyms: 4-Piperidinecarboxamide, Hexahydroisonicotinamide, Piperidine-4-carboxamide, I17907_ALDRICH, AIDS070593, AIDS-070593, NSC82318, EINECS 254-501-6, NSC 82318, SBB004237, FS000026, TL8002858, 65360-53-4

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DPBWFNDFMCCGGJ-UHFFFAOYSA-N

• L-Valinol
IUPAC Name: 2-amino-3-methylbutan-1-ol | CAS Registry Number: 2026-48-4
Synonyms: Valinol, DL-Valinol, 2-Amino-3-methyl-1-butanol, 1-Butanol, 2-amino-3-methyl-,, 184837_ALDRICH, L-2-Amino-3-methylbutan-1-ol, 1-Butanol, 2-amino-3-methyl-, (1)-2-Amino-3-methylbutan-1-ol, EINECS 217-975-5, EINECS 240-425-0, NSC322922, (S)-(+)-2-Amino-3-methyl-1-butanol, (R)-(-)-2-Amino-3-methyl-1-butanol, 1-Butanol, 2-amino-3-methyl-, (R)-, 1-Butanol, 2-amino-3-methyl-, (.+/-.)-, 16369-05-4, 473-75-6

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NWYYWIJOWOLJNR-UHFFFAOYSA-N

• Lenalidomide
IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione | CAS Registry Number: 191732-72-6
Synonyms: Revlimid, Revimid, Revamid, IMiD3, Revlimid (TN), IMiD3 cpd, Lenalidomide [USAN], Lenalidomide (USAN/INN), CDC 501, CC-5013, Celgene brand of lenalidomide, Thalidomide analog CC-5013, STOCK6S-54938, CC 5013, ENMD-0997, IMID-5013, CDC-501, CDC-5013, CC5013, CID216326

Molecular Formula: C13H13N3O3Molecular Weight: 259.260620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GOTYRUGSSMKFNF-UHFFFAOYSA-N

• Methyl 2-(trifluoromethyl)benzoate
IUPAC Name: methyl 2-(trifluoromethyl)benzoate | CAS Registry Number: 344-96-7
Synonyms: SBB063346, ZINC00153345, AC1MCQBK, ACMC-1AHFP, SureCN45490, methyl o-trifluoromethylbenzoate, methyl 2-trifluoromethylbenzoate, CTK1J8527, JLCAMDSWNZBTEE-UHFFFAOYSA-, MolPort-000-147-049, ANW-27885, AKOS008908779, AG-F-18100, LS11182, MCULE-7487858809, 2-trifluoromethylbenzoic acid methyl ester, AK-51570, KB-53721, TL8006994, FT-0608959

Molecular Formula: C9H7F3O2Molecular Weight: 204.145890 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: JLCAMDSWNZBTEE-UHFFFAOYSA-N

• Methyl 2-aminothiazole-5-carboxylate
IUPAC Name: methyl 2-amino-1,3-thiazole-5-carboxylate | CAS Registry Number: 6633-61-0
Synonyms: NSC42123, ZINC01675002, ZINC07779464, M2153G1

Molecular Formula: C5H6N2O2SMolecular Weight: 158.178340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UJNNCGWBDJHCEM-UHFFFAOYSA-N

• Methyl 3-Amino-4-Hydroxybenzoate
IUPAC Name: methyl 3-amino-4-hydroxybenzoate | CAS Registry Number: 536-25-4
Synonyms: Orthoform, Aminobenz, Orthocaine, Orthoderm, Methyl 3-amino-4-hydroxybenzoate, Methyl m-amino-p-hydroxybenzoate, Methyl 4-hydroxy-3-aminobenzoate, C8H9NO3, Methyl 4-amino-3-hydroxybenzoate, NSC 9813, EINECS 208-627-3, Methyl-3-amino-4-hydroxybenzoate, NSC9813, 3-Amino-4-hydroxybenzoic acid methyl ester, BRN 0608715, ZINC01428307, AI3-04738, BENZOIC ACID, 3-AMINO-4-HYDROXY-, METHYL ESTER, LS-35875, C14171

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VNQABZCSYCTZMS-UHFFFAOYSA-N

• Methyl Benzo[B]Thiophene-2-Carboxylate
IUPAC Name: methyl 1-benzothiophene-2-carboxylate | CAS Registry Number: 22913-24-2
Synonyms: Maybridge1_001812, 666432_ALDRICH, Methyl thianaphthene-2-carboxylate, ZINC00093073, CID2800344, Methyl benzo[b]thiophene-2-carboxylate, Benzo[b]thiophene-2-carboxylic acid methyl ester, A4072/0173497

Molecular Formula: C10H8O2SMolecular Weight: 192.234320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KRRAZMUPVIGDCU-UHFFFAOYSA-N

• N,N-Dimethyl-3-(4-nitrophenoxy)propylamine
IUPAC Name: N,N-dimethyl-3-(4-nitrophenoxy)propan-1-amine | CAS Registry Number: 91430-80-7
Synonyms: N,N-dimethyl-3-(4-nitrophenoxy)propan-1-amine, N,N-DIMETHYL-3-(4-NITROPHENOXY)-1-PROPANAMINE, AG-H-75221, N,N-DIMETHYL-3-(-4-NITROPHENOXY)-1-PROPANAMINE, SureCN1728679, CTK5G9617, ANW-59274, AKOS015850717, AK-39933, KB-88058, I14-15436

Molecular Formula: C11H16N2O3Molecular Weight: 224.256340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LZAUJKLXJFELOL-UHFFFAOYSA-N

• N,N-Diphenylformamidine
IUPAC Name: N,N'-di(phenyl)methanimidamide | CAS Registry Number: 622-15-1
Synonyms: Diphenylformamidine, N,N'-Diphenylformamidine, N,N'-Diphenylformamidene, Methanimidamide, N,N'-diphenyl-, Ambap5786, Formamidine, N,N'-diphenyl-, N,N'-Diphenymethanimidamide, N,N'-Diphenylmethanimidamide, N,N'-Diphenylimidoformamide, Oprea1_875410, 159646_ALDRICH, NSC 6789, 43020_FLUKA, EINECS 210-720-9, NSC6789, ZINC01866990, AI3-01807, LS-90466, Formamidine, N,N'-diphenyl- (6CI,7CI,8CI), TL8004064

Molecular Formula: C13H12N2Molecular Weight: 196.247780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZQUVDXMUKIVNOW-UHFFFAOYSA-N

• N-Boc-cis-4-Hydroxy-L-Proline
IUPAC Name: (2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 87691-27-8
Synonyms: N-Boc-cis-4-Hydroxy-L-proline, (2S,4S)-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid, (2S,4S)-cis-1-N-Boc-4-hydroxy-proline, (4s)-1-(tert-butoxycarbonyl)-4-hydroxy-l-proline, N-Boc-cis-4-hydroxypyrrolidine-2-carboxylic acid, boc-cishyp-oh, (S,S)-cis-1-N-Boc-4-hydroxy-proline, AC1LEMFI, PubChem13739, SureCN242328, AC1Q5XO8, boc-cis-4-hydroxy-l-proline, 654019_ALDRICH, CTK7F2897, n-t-boc-cis-4-hydroxy-l-proline, MolPort-002-499-825, KST-1A8736, ACT02247, ANW-38878, AR-1A6060

Molecular Formula: C10H17NO5Molecular Weight: 231.245680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BENKAPCDIOILGV-BQBZGAKWSA-N

• N-BOC-pyrrole-2-boronic Acid
IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid | CAS Registry Number: 135884-31-0
Synonyms: N-Boc-2-pyrroleboronic acid, N-Boc-2-pyrryl boronic acid, N-Boc-pyrrole-2-boronic acid, 15047_FLUKA, B2016G1, TL8007173, 1-(T-Butoxycarbonyl)Pyrrole-2-Boronic Acid

Molecular Formula: C9H14BNO4Molecular Weight: 211.022760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZWGMJLNXIVRFRJ-UHFFFAOYSA-N

• N-Boc-trans-4-Hydroxy-L-Proline Methylester
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate | CAS Registry Number: 74844-91-0
Synonyms: 639737_ALDRICH, ZINC00403528, TL8006653, N-Boc-trans-4-hydroxy-L-proline methyl ester, N-BOC-trans-4-hydroxyl-L-proline methyl ester

Molecular Formula: C11H19NO5Molecular Weight: 245.272260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MZMNEDXVUJLQAF-SFYZADRCSA-N

• N-Cbz-D-Asp-OH
IUPAC Name: 2-(phenylmethoxycarbonylamino)butanedioic acid | CAS Registry Number: 78663-07-7
Synonyms: Z-DL-aspartic acid, Z-DL-Asp-OH, Carbobenzoxy-L-aspartic acid, N-Carbobenzoxy-L-aspartic acid, N-Benzyloxycarbonylaspartic acid, NCIOpen2_005447, NCIOpen2_005527, N-Benzyloxycarbonyl-L-aspartic acid, 95975_FLUKA, NSC9972, NSC668588, AIDS144982, Aspartic acid, N-(benzyloxy)carbonyl-, AIDS-144982, N-Benzyloxycarbonyl-D-aspartic acid, NSC 9972, NSC88479, NSC88490, EINECS 214-568-4, N-((Benzyloxy)carbonyl)aspartic acid

Molecular Formula: C12H13NO6Molecular Weight: 267.234720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XYXYXSKSTZAEJW-UHFFFAOYSA-N

• N-t-Boc-4-oxo-L-proline
IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid | CAS Registry Number: 84348-37-8
Synonyms: N-Boc-4-oxo-L-proline, N-t-boc-4-oxo-L-proline, SBB067204, AG-H-36948, (S)-1-(Tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-pyrrolidinecarboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-pyrrolidine-2-carboxylic acid, Boc-L-Pro(4-oxo), PubChem18727, SureCN204965, KSC496K0R, (2S)-1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid, 681202_ALDRICH, CTK3J6508, MolPort-000-002-200, ACT02238, ANW-37761, FC1252, N-tert-butoxycabonyl-4-oxo-L-proline, AKOS015836547

Molecular Formula: C10H15NO5Molecular Weight: 229.229800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CKYGSXRXTIKGAJ-ZETCQYMHSA-N

• N-tert-Butoxycarbonyl-L-alaninol
IUPAC Name: tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate | CAS Registry Number: 79069-13-9
Synonyms: Boc-L-alaninol, N-Boc-L-alaninol, 469513_ALDRICH, ARK047, 15394_FLUKA, ZINC02584431, (S)-2-(Boc-amino)-1-propanol, CID7023103, B-4620, (S)-(−)-2-(tert-Butoxycarbonylamino)-1-propanol

Molecular Formula: C8H17NO3Molecular Weight: 175.225480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PDAFIZPRSXHMCO-LURJTMIESA-N

• Pimobendan
IUPAC Name: 3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one | CAS Registry Number: 74150-27-9
Synonyms: pimobendan, dl-Pimobendan, Acardi, d-Pimobendan, l-Pimobendan, pimobendane, Vetmedin, Racemic pinobendan, (+)-Pimobendan, (-)-Pimobendan, Acardi (TN), Pimobendan [USAN:INN], Pimobendan [INN-Spanish], Pimobendane [INN-French], Pimobendanum [INN-Latin], UD-CG 115, UD-CG 115 BS, Pimobendan (JAN/USAN/INN), UD-CG-115BS, (+)-UD-CG 115BS

Molecular Formula: C19H18N4O2Molecular Weight: 334.371820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GLBJJMFZWDBELO-UHFFFAOYSA-N

• Piperidine-4-YL-Acetic Acid
IUPAC Name: 2-piperidin-1-ium-4-ylacetic acid;chloride | CAS Registry Number: 73415-84-6
Synonyms: 4-Piperidineacetic acid HCl, SureCN5240641, AKOS015833191, 2-(4-piperidin-1-iumyl)acetic acid chloride, 2-piperidin-1-ium-4-ylethanoic acid chloride, P17461, A828419

Molecular Formula: C7H14ClNO2Molecular Weight: 179.644560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IYDUFJOXYMLYNM-UHFFFAOYSA-N

• Pyrazolo[1,5-a]pyridine-3-carboxylic acid
IUPAC Name: pyrazolo[1,5-a]pyridine-3-carboxylic acid | CAS Registry Number: 16205-46-2
Synonyms: SBB069079, zlchem 84, SDCCGMLS-0066064.P001, AC1MDTFC, SureCN416200, AC1Q72OB, CTK0H3994, ZLB0072, MolPort-000-142-766, KUC107408N, ACT05882, ANW-54048, RW4038, AKOS005265113, AG-E-11817, KSC-20-077, MCULE-4993718209, PB19871, RP02217, 3-pyrazolo[1,5-a]pyridinecarboxylic acid

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HRSDPDBQVZHCRC-UHFFFAOYSA-N

• Pyrimidine-5-carboxylic acid
IUPAC Name: pyrimidine-5-carboxylic acid | CAS Registry Number: 4595-61-3
Synonyms: CID78346, EINECS 224-994-2, P2410G1, ST5340242, TL8003190, AA-516/30012043

Molecular Formula: C5H4N2O2Molecular Weight: 124.097460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IIVUJUOJERNGQX-UHFFFAOYSA-N


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