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Topharman Shanghai Co Ltd

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Web: http://www.topharman.com
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Address: Building 1, No.388 Jialilue Road, Zhangjiang Hitech Park, Pudong, Shanghai 201203, China
Phone: +86-(21)-61090366 | Fax: +86-(21)-61090376 | Map/Directions >>

Profile: Topharman Shanghai Co Ltd manufactures active pharmaceutical intermediates. Our product includes bumetanide, adapalene, ambazone, aminocarb, antazolin, bicifadine and delavirdine. We also provide doxazosin, exalamide, fenoxazoline, fluoxetine, tegaserod, zaleplon and zoledronic acid.

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• 2-n-Butyl-1,3-diaza-spiro[4,4]non-1-en-4-one hydrochloride
IUPAC Name: 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride | CAS Registry Number: 151257-01-1
Synonyms: 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one Hydrochloride, 2-Butyl-4-spirocyclopentane-2-imidazolin-5-one hydrochloride, 2-n-Butyl-1,3-diaza-spiro[4,4]non-1-en-4-one HCl, 2-BUTYL-1,3-DIAZA-SPIRO[4.4]NON-1-EN-4-ONE HCL, PubChem16782, SureCN535435, SureCN7768324, ACMC-209d60, Jsp002901, CTK8B0837, MolPort-003-987-539, ANW-21334, AKOS015907796, AB15412, AC-6864, AM90294, CL23629, MCULE-7029797223, AK-58874, KB-173926

Molecular Formula: C11H19ClN2OMolecular Weight: 230.734360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WWRHZLCKSVQRBG-UHFFFAOYSA-N

• (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde
IUPAC Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde | CAS Registry Number: 15186-48-8
Synonyms: 454486_ALDRICH, NSC89869, SL-02829, TL8001119, (R)-()-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YSGPYVWACGYQDJ-YFKPBYRVSA-N

• 2-n-Propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazole
IUPAC Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazole | CAS Registry Number: 152628-02-9
Synonyms: AG-E-00017, 2,5'-BI-1H-BENZIMIDAZOLE, 1,7'-DIMETHYL-2'-PROPYL-, 2-n-propyl-4-methyl-6-carboxy-benzimidazole, 2-PROPYL-4-METHYL-6-(1-METHYLBENZIMIDAZOL-2-YL)BENZIMIDAZOLE, 2-Propyl-4-Methyl-6-(1-Methylbenzimidazole-2-yl)benzimidazole, 1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-bibenzo(d)imidazole, 1,7'-DIMETHYL-2'-PROPYL-1H,3'H-2,5'-BIBENZO[D]IMIDAZOLE, PubChem7546, ACMC-20a0jh, SureCN159014, SureCN160346, SureCN5819981, TELMISARTAN IMPURITY A, Telmisartan related compound A, UNII-6LS25C273E, CTK0H4922, MolPort-003-850-016, ANW-51627, ZINC21298132, Telmisartan related compound A [USP]

Molecular Formula: C19H20N4Molecular Weight: 304.388900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ILXRSCZVHSZGCS-UHFFFAOYSA-N

• 4-Methyl-2-propyl-1H-benzimidazole-6-carboxyboxylic acid
IUPAC Name: 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid | CAS Registry Number: 152628-03-0
Synonyms: 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid, 4-Methyl-2-propyl-6-benzimidazolecarboxylic Acid, 4-Methyl-2-propyl-1H-benzo[d]imidazole-6-carboxylic acid, 2-n-propyl-4-methyl-6-carboxy benzimidazole, 1H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-, 1H-Benzimidazole-5-carboxylicacid, 7-methyl-2-propyl-, zlchem 378, PubChem8376, ACMC-20aj4a, SureCN158112, SureCN158113, KSC174I8N, BEN034, BEN587, Jsp002945, CTK0H4486, ZLC0222, MolPort-003-844-710, ACN-S004356, ACT02016

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XWAJTVCEILFDGU-UHFFFAOYSA-N

• 4-Amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine
IUPAC Name: 6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 1672-48-6
Synonyms: 6-Amino-5-nitroso-2-thiouracil, NSC229540, AIDS040680, AIDS-040680, EINECS 216-807-8, EINECS 226-680-0, ZINC04261925, ST5307081, 6-Amino-2-mercapto-5-nitroso-4-pyrimidinol ammoniate, Pyrimidene, 2-thiol, 4-amino, 5-nitroso, 6-hydroxy, 6-Amino-2,3-dihydro-5-nitroso-2-thioxopyrimidin-4(1H)-one, monoammonium salt, 5451-33-2

Molecular Formula: C4H4N4O2SMolecular Weight: 172.165160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UOWCFGBLAMCSFY-UHFFFAOYSA-N

• 5-Nitroindole-2-carboxylic acid
IUPAC Name: 5-nitro-1H-indole-2-carboxylic acid | CAS Registry Number: 16730-20-4
Synonyms: Ambap5237, NSC520595, CID351291, TL8001290, N-3298

Molecular Formula: C9H6N2O4Molecular Weight: 206.154940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: LHFOJSCXLFKDIR-UHFFFAOYSA-N

• 2,3-Pyridinediol
IUPAC Name: 3-hydroxy-1H-pyridin-2-one | CAS Registry Number: 16867-04-2
Synonyms: 2,3-DIHYDROXYPYRIDINE, Pyridine-2,3-diol, 2(1H)-Pyridinone, 3-hydroxy-, 3-Hydroxy-2-pyridone, 2(1H)-Pyridone, 3-hydroxy-, 3-Hydroxy-2(1H)-pyridinone, 2,3-DHBEEOP, 2,3-Pyridinediol (8CI), 3-hydroxypyridin-2(1H)-one, 122505_ALDRICH, NSC49272, EINECS 240-887-3, NSC 49272, ZINC00331622, AIDS081855, AIDS-081855, CID28115, SBB004333, AI3-61776, 13466-42-7 (DELETED)

Molecular Formula: C5H5NO2Molecular Weight: 111.098700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GGOZGYRTNQBSSA-UHFFFAOYSA-N

• 1-(Benzyloxy)-2-chloroethane
IUPAC Name: 2-chloroethoxymethylbenzene | CAS Registry Number: 17229-17-3
Synonyms: Benzyl 2-chloroethyl ether, 2-chloro-ethoxy-methyl-benzene, [(2-Chloroethoxy)methyl]benzene, NSC11269

Molecular Formula: C9H11ClOMolecular Weight: 170.636040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UPIMXDQREQJWMR-UHFFFAOYSA-N

• 5-Androsten-3-beta-ol-7,17-dione acetate
IUPAC Name: (10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate | CAS Registry Number: 1449-61-2
Synonyms: NSC134911, 7,17-Dioxoandrost-5-en-3-yl acetate, Androst-5-en-3-ol-7,17-dione acetate

Molecular Formula: C21H28O4Molecular Weight: 344.444620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VVSMJVQHDZUPIL-UHFFFAOYSA-N

• 4-methyl-5-thiazolecarboxylic acid ethylester
IUPAC Name: ethyl 4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 20582-55-2
Synonyms: NSC170824, CID298610, ZINC00368976, BAS 00125252, 4-Methyl-thiazole-5-carboxylic acid ethyl ester, 5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester, Thiazole-5-carboxylic acid, 4-methyl-, ethyl ester

Molecular Formula: C7H9NO2SMolecular Weight: 171.216860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WISQBJLUORKXNY-UHFFFAOYSA-N

• 1,3-Bis(bromomethyl)-5-methylbenzene
IUPAC Name: 1,3-bis(bromomethyl)-5-methylbenzene | CAS Registry Number: 19294-04-3
Synonyms: 3,5-Bis(bromomethyl)toluene, NSC243652, CID316162, ST5409004, TL8001581

Molecular Formula: C9H10Br2Molecular Weight: 277.983700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AKDWRXXKHRUFMS-UHFFFAOYSA-N

• 2-Amino-3-benzyloxypyridine
IUPAC Name: 3-(phenylmethoxy)pyridin-2-amine | CAS Registry Number: 24016-03-3
Synonyms: 1w7h, Maybridge1_001801, 3-Benzyloxy-2-pyridylamine, Oprea1_818910, 144487_ALDRICH, 3-(phenylmethoxy)pyridin-2-amine, 3-(BENZYLOXY)PYRIDIN-2-AMINE, EINECS 245-983-9, NSC298538, SBB000394, DB02352, SDCCGMLS-0065867.P001, Pyridine derived fragment based inhibitor 1, TL8001982, 3IP

Molecular Formula: C12H12N2OMolecular Weight: 200.236480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NMCBWICNRJLKKM-UHFFFAOYSA-N

• 3,5-Bis(benzyloxy)benzyl bromide
IUPAC Name: 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene | CAS Registry Number: 24131-32-6
Synonyms: 3,5-Dibenzyloxybenzyl Bromide, 3,5-Bis(benzyloxy)benzyl Bromide, 3,5-Dibenzyloxy-alpha-bromotoluene, 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene, ZINC01529104, PubChem15063, AC1MC3ZQ, Ambpe2003894, SureCN4825449, ACMC-209g95, CTK4F2981, MolPort-000-159-534, ANW-25335, AKOS015839495, AG-E-71246, KB-84071, 1,3-bis(benzyloxy)-5-(bromomethyl)benzene, B2093, FT-0638398, A817112

Molecular Formula: C21H19BrO2Molecular Weight: 383.278360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WGMYJGAUAQXYFQ-UHFFFAOYSA-N

• 2-Hydroxy-4-methyl-3-nitropyridine
IUPAC Name: 4-methyl-3-nitro-1H-pyridin-2-one | CAS Registry Number: 21901-18-8
Synonyms: 4-Methyl-3-nitro-2-pyridone, 2-Hydroxy-3-nitro-4-picoline, 290114_ALDRICH, NSC402986, CID345370, ZINC00155253, TL8001754

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HZCWTTHQRMHIIE-UHFFFAOYSA-N

• 2-Hydroxy-4-methyl-5-nitropyridine
IUPAC Name: 4-methyl-5-nitro-1H-pyridin-2-one | CAS Registry Number: 21901-41-7
Synonyms: Ambap1798, 4-Methyl-5-nitro-2-pyridinol, 2-Hydroxy-5-nitro-4-picoline, 290106_ALDRICH, NSC402987, CID345371, ZINC00155252, H174, ST5306968, TL8001755

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AIEHUZHKFUNHCJ-UHFFFAOYSA-N

• 3-Aminothiophene-2-carboxylic acid methyl ester
IUPAC Name: methyl 3-aminothiophene-2-carboxylate | CAS Registry Number: 22288-78-4
Synonyms: 232904_ALDRICH, Methyl 3-aminothiophene-2-carboxylate, EINECS 244-895-8, Methyl 3-amino-2-thiophenecarboxylate, ZINC00105231, Methyl-3-amino-2-thiophene-carboxylate, TL806379, LS-152978, ST5308413, 2-Thiophenecarboxylic acid, 3-amino-, methyl ester, InChI=1/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H

Molecular Formula: C6H7NO2SMolecular Weight: 157.190280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TWEQNZZOOFKOER-UHFFFAOYSA-N

• (-)-Epicatechin gallate
IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 1257-08-5
Synonyms: L-Epicatechin gallate, Epicatechol, gallate, (-)-Epicatechin-3-gallate, Spectrum_000314, SpecPlus_000275, (-)-Epicatechin-3-O-gallate, Spectrum2_000165, Spectrum3_000246, Spectrum4_001540, Spectrum5_000080, Epicatechol, gallate (6CI), BSPBio_001632, KBioGR_001980, KBioSS_000794, SPECTRUM210238, DivK1c_006371, SPBio_000029, E3893_SIAL, MEGxp0_000810, Epicatechol, 3-gallate, (-)-

Molecular Formula: C22H18O10Molecular Weight: 442.372320 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 10

InChIKey: LSHVYAFMTMFKBA-TZIWHRDSSA-N

• (25S)-5beta-Spirostan-3beta-ol
Synonyms: Sarsasapogenin, Parigenin, Sarsapogenine, CHEBI:15578, NSC 1615, EINECS 204-776-3, (3beta,5beta,25S)-spirostan-3-ol, LS-193826, 5beta-Spirostan-3beta-ol, (25S)- (8CI), C03963, Spirostan-3-ol, (3beta,5beta,25S)- (9CI)

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GMBQZIIUCVWOCD-WWASVFFGSA-N

• 5-Chloroethyl-6-chloro-1,3-dihydro-1H-indol-2-one
IUPAC Name: 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one | CAS Registry Number: 118289-55-7
Synonyms: 6-Chloro-5-(2-chloroethyl)indolin-2-one, 5-Chloroethyl-6-chloro-1,3-dihydro-2H-indole-2-one, 6-Chloro-5-(2-chloroethyl)oxindole, 6-chloro-5-(2-chloroethyl)-1,3-dihydro-2h-indol-2-one, 5-(2-Chloroethyl)-6-chlorooxindole, 6-Chloro-5-(2-chloroethyl)-2-indolinone, 6-CHLORO-5-(2-CHLOROETHYL)-1,3-DIHYDRO-2H-INDOLE-2-ONE, 2H-INDOL-2-ONE, 6-CHLORO-5-(2-CHLOROETHYL)-1,3-DIHYDRO-, PubChem9372, ACMC-1BYOA, SureCN623364, KSC498E5F, CTK3J8252, MolPort-003-845-770, ANW-45724, SBB070839, STL373352, ZINC02524898, AKOS015889238, AB14169

Molecular Formula: C10H9Cl2NOMolecular Weight: 230.090560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZTQQXEPZEYIVDK-UHFFFAOYSA-N

• 3,4-Dichlorocinnamic acid
IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid | CAS Registry Number: 1202-39-7
Synonyms: 3,4-DICHLOROCINNAMIC ACID, 3',4'-Dichlorocinnamic acid, Cinnamic acid, 3,4-dichloro-, 144703_ALDRICH, EINECS 214-866-4, 2-Propenoic acid, 3-(3,4-dichlorophenyl)-, NSC 518800, BRN 1872129, NSC518800, SBB015056, 3-(3,4-Dichlorophenyl)-2-propenoic acid, Cinnamic acid, 3,4-dichloro- (8CI), LS-123619, InChI=1/C9H6Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2

Molecular Formula: C9H6Cl2O2Molecular Weight: 217.048740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RRLUFPHCTSFKNR-DUXPYHPUSA-N

• 2,2'-(5-Methyl-1,3-phenylene)di(2-methylpropanenitrile)
IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-72-0
Synonyms: 3,5-Bis(2-cyanoprop-2-yl)toluene, Pentamethyl-1,3-benzenediacetonitrile, 2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile), 1,3-Benzenediacetonitrile,a1,a1,a3,a3,5-pentamethyl-, 2,2-(5-Methyl-1-,3-phenylene)di(2-methylpropiononitrile), PubChem14361, ACMC-1C6FE, AGN-PC-00R8FQ, SureCN1172829, CTK4B1911, MolPort-003-985-824, ANW-46631, SBB063217, ZINC21985858, AKOS005257888, AC-6803, AG-D-44789, 3,5-Bis(2-cyano-2-methylethyl)toluene, AK-55794, EN001317

Molecular Formula: C15H18N2Molecular Weight: 226.316820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SJECEXNMZXMXNE-UHFFFAOYSA-N

• 3,5-Bis(cyanomethyl)toluene
IUPAC Name: 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile | CAS Registry Number: 120511-74-2
Synonyms: 5-Methyl-1,3-benzenediacetonitrile, 3,5-bis-(Cyanomethyl)toluene, 1,3-Benzenedicarbonitrile,2,5-dimethyl-, [3-(cyanomethyl)-5-methylphenyl]acetonitrile, 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile, 107170-81-0, PubChem19672, ACMC-20ah11, SureCN2262582, BEN019, CTK4A5037, 5-Methyl-1,3-diacetonitrilbezene, MolPort-003-848-738, 5-Methylbenzene-1,3-diacetonitrile, ANW-72995, SBB068769, ZINC21297549, 1,3-Benzenediacetonitrile, 5-methyl-, AKOS006285190, AC-6805

Molecular Formula: C11H10N2Molecular Weight: 170.210500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XJCXEUYJQHPEAE-UHFFFAOYSA-N

• 5-(Bromomethyl)-alpha,alpha,alpha,alpha-tetramethyl-1,3-benzenediacetonitrile
IUPAC Name: 2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-84-4
Synonyms: 3,5-bis(2-cyanoprop-2-yl)benzyl bromide, SBB054914, 2-[3-(bromomethyl)-5-(1-cyano-1-methylethyl)phenyl]-2-methylpropanenitrile, 5-bromomethyltetramethyl-1,3-benzenediacetonitrile, 2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile), 5-(Bromomethyl)-a,a,a ,a -tetramethyl-1,3-benzenediacetonitrile, zlchem 553, PubChem14362, AGN-PC-00ATFA, SureCN2258695, CTK7C5027, ZLC0418, MolPort-005-935-643, ANW-46630, ZINC21986320, AKOS015889686, AC-6804, AG-B-88288, 3,5-bis(2-cyanoprop-2-yl)benzylbromide, AK-56336

Molecular Formula: C15H17BrN2Molecular Weight: 305.212880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IHXHGCDOJLOZML-UHFFFAOYSA-N

• (1H)-7-(4'-Bromobutoxy)-3,4-dihydro-2-quinolinone
IUPAC Name: 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 129722-34-5
Synonyms: 7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone, 3,4-Dihydro-7-(4-bromobutoxy)-2(1H)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one, 7-(4-Bromo-butoxy)-3,4-dihydro-1H-quinolin-2-one, 2(1H)-Quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-, AG-D-60351, 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1H)-one, PubChem6002, SureCN8513, AGN-PC-0CTILM, ACMC-209bh8, QUI081, Jsp001809, CTK4B6379, MolPort-003-845-324, BB_SC-4613, ANW-19146, BBL011057, STK802231, ZINC15919788

Molecular Formula: C13H16BrNO2Molecular Weight: 298.175640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: URHLNHVYMNBPEO-UHFFFAOYSA-N

• 1-[2-Amino-1-(4-Methoxy Phenyl)Ethyl]Cyclohexanol Hydrochloride
IUPAC Name: 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride | CAS Registry Number: 130198-05-9
Synonyms: 1-[2-Amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride, 1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol hydrochloride, 1-[2-Amino-1-(4-methyoxyphenyl)ethyl]cyclohexanol.HCl, 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride, 1-(2-Amino-1-(4-methoxyphenyl)ethyl) cyclohexanol hydrochloride, PubChem14024, UNII-O00PWS7DPA, ACMC-20a6u7, SureCN3325847, KSC498E2B, Jsp001833, CTK3J8220, MolPort-003-987-460, ANW-59789, AKOS015888208, AC-7776, AG-A-17018, N,N-Didesmethylvenlafaxine hydrochloride, AK-36913, KB-63806

Molecular Formula: C15H24ClNO2Molecular Weight: 285.809560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: NTKXIDDUCSFBBF-UHFFFAOYSA-N

• 4-Nitrophthalamide
IUPAC Name: 4-nitrobenzene-1,2-dicarboxamide | CAS Registry Number: 13138-53-9
Synonyms: 4-Nitrophthaldiamide, Maybridge1_003271, NCIOpen2_006090, 330426_ALDRICH, 1,2-Benzenedicarboxamide, 4-nitro-, NSC94821, EINECS 236-070-6, NSC 94821, ZINC00056712, ST5319938, SR-01000643795-1

Molecular Formula: C8H7N3O4Molecular Weight: 209.158880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XWCDSCYRIROFIO-UHFFFAOYSA-N

• 2-(Chloromethyl)-4,5-dihydro-1H-imidazole Hydrochloride
IUPAC Name: 2-(chloromethyl)-4,5-dihydro-1H-imidazole hydrochloride | CAS Registry Number: 13338-49-3
Synonyms: NSC187479

Molecular Formula: C4H8Cl2N2Molecular Weight: 155.025720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GHCCHMFFNHOXEU-UHFFFAOYSA-N

• 2-Chloro-3-amino-4-(2-methylpropylamino)quinoline
IUPAC Name: 2-chloro-4-N-(2-methylpropyl)quinoline-3,4-diamine | CAS Registry Number: 133860-76-1
Synonyms: 2-Chloro-N4-isobutylquinoline-3,4-diamine, 3,4-Quinolinediamine, 2-chloro-N4-(2-methylpropyl)-, 3,4-Quinolinediamine,2-chloro-N4-(2-methylpropyl)-, 2-chloro-3-amino-4-[N-(2-methylpropyl)]amino quinoline, ACMC-209v5v, AGN-PC-00FC2E, QUI017, Jsp002062, CTK4B8836, MolPort-005-937-268, ANW-44657, ZINC21989216, AKOS015914452, AG-D-69045, AC-18442, AK-58159, KB-169516, KB-180521, FT-0643207, A806692

Molecular Formula: C13H16ClN3Molecular Weight: 249.739240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JARNINMUMFRNPS-UHFFFAOYSA-N

• 3,5-Dimethoxyphenylacetonitrile
IUPAC Name: 2-(3,5-dimethoxyphenyl)acetonitrile | CAS Registry Number: 13388-75-5
Synonyms: (3,5-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxyphenylacetonitrile, 591149_ALDRICH, NSC245126, CID139445, SBB005899, ZINC00400318, TL8000012, AA-504/07219022, 93-17-4

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UUNRWZQWCNTSCV-UHFFFAOYSA-N

• 4-Chloro-6,7-dimethoxyquinazoline
IUPAC Name: 4-chloro-6,7-dimethoxyquinazoline | CAS Registry Number: 13790-39-1
Synonyms: 4-Chloro-6,7-dimethoxy-quinazoline, AG-D-76903, Quinazoline, 4-chloro-6,7-dimethoxy-, F2113-0651, zlchem 87, ZINC02574919, PubChem9672, AC1MCGWT, ACMC-1BRD3, AC1Q470M, QUI040, Jsp002282, CTK4C1024, ZLB0075, MolPort-000-002-807, 4-Cholro-6,7-dimethoxyquinazoline, ACN-S003137, ACT01921, ANW-20362, SBB078276

Molecular Formula: C10H9ClN2O2Molecular Weight: 224.643660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LLLHRNQLGUOJHP-UHFFFAOYSA-N

• 4'-[(2-n-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile
IUPAC Name: 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile | CAS Registry Number: 138401-24-8
Synonyms: [1,1'-Biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-, 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile, [1,1'-Biphenyl]-2-carbonitrile,4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-, 4'-((2-butyl-4-oxo-1,3-diazaspiro(4.4)non-1-en-3-yl)methyl)biphenyl-2-carbonitrile, [1.1 inverted exclamation marka-Biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1.3-diazaspiro [4.4]non-1-en-3-yl)methyl], 4'-((2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile, 4'-[(2-BUTYL-4-OXO-1,3-DIAZASPIRO[4.4]NON-1-EN-3-YL)METHYL]-(1,1'-BIPHENYL)-2-CARBONITRILE, 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-Biphenyl]-2-carbonitrile, 4'-[(2-N-BUTYL-4-OXO-1,3-DIAZASPIRO[4.4]NON-1-EN-3-YL)METHYL]-(1,1'-BIPHENYL)-2-CARBONITRILE, 4'-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile, ACMC-20mxjx, SureCN1316335, CHEMBL332051, CTK4C1245, CHEBI:286513, MolPort-003-986-399, ZINC13833593, AKOS015895294, AB25775, AG-D-77703

Molecular Formula: C25H27N3OMolecular Weight: 385.501380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KWEQEHOPDHARIA-UHFFFAOYSA-N

• 2-(1-Adamantyl)-4-bromoanisole
IUPAC Name: 1-(5-bromo-2-methoxyphenyl)adamantane | CAS Registry Number: 104224-63-7
Synonyms: 1-(5-bromo-2-methoxyphenyl)adamantane, 1-(5-Bromo-2-methoxy-phenyl)adamantane, 2-(1-Adamantyl)-4-bromo anisole, 2-(1-Adamantane)-4-bromoanisole, 2-(Adamantan-1-yl)-4-bromoanisole, ST4093178, 2-(Adamantan-1-yl)-4-bromo-1-methoxybenzene, Tricyclo[3.3.1.13,7]decane, 1-(5-bromo-2-methoxyphenyl)-, ZINC04653425, PubChem23591, ACMC-1BPQP, AC1MMF5V, SureCN178217, 2-Adamantyl-4-bromoanisole,, SureCN12635527, TRI007, Ambap104224-63-7, CTK7A5900, MolPort-001-767-861, MolPort-002-723-537

Molecular Formula: C17H21BrOMolecular Weight: 321.252040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QQAMHHZQONQBFZ-UHFFFAOYSA-N

• 5-Bromo-2-hydroxynicotinic acid
IUPAC Name: 5-bromo-2-oxo-1H-pyridine-3-carboxylate | CAS Registry Number: 104612-36-4
Synonyms: ZINC00169402, CID6934026

Molecular Formula: C6H3BrNO3-Molecular Weight: 216.996920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GYXOTADLHQJPIP-UHFFFAOYSA-M

• 2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
IUPAC Name: 4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | CAS Registry Number: 104617-49-4
Synonyms: 4,5,6,7-Tetrahydrobenzo[d]thiazole-2,6-diamine, 4,5,6,7-tetrahydro-2,6-benzothiazolediamine, 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-, ( inverted exclamation markA)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, 106006-83-1, PubChem15968, ACMC-209zgs, S-(-)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, ACMC-20a13r, 2,6-Benzothiazolediamine,4,5,6,7-tetrahydro-, (6R)-, 2,6-Benzothiazolediamine,4,5,6,7-tetrahydro-, (6S)-, AGN-PC-00ASJ6, KSC269K5L, BEN628, Jsp000451, MolPort-004-301-592, ACT02327, ACT03825, ANW-15085, SBB070151

Molecular Formula: C7H11N3SMolecular Weight: 169.247340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DRRYZHHKWSHHFT-UHFFFAOYSA-N

• 3-(1-(Dimethylamino)ethyl]phenol
IUPAC Name: 3-[1-(dimethylamino)ethyl]phenol | CAS Registry Number: 105601-04-5
Synonyms: 3-[1-(dimethylamino)ethyl]phenol, Phenol, 3-[1-(dimethylamino)ethyl]-, 3-(1-(DIMETHYLAMINO)ETHYL]PHENOL, Phenol,3-[1-(dimethylamino)ethyl]-, AG-D-19286, 3-(1-(dimethylamino)ethyl)phenol, (S)-3-1(- Dimethylamino)ethylphenol, Phenol,3-[(1S)-1-(dimethylamino)ethyl]-, ACMC-209vzk, AC1L8WWC, SureCN43343, ACMC-209vt2, PHE015, RA08, CTK4A3955, MolPort-005-938-476, ANW-45726, AKOS015850703, 3-(1-DIMETHYLAMINOETHYL)PHENOL, AC-3488

Molecular Formula: C10H15NOMolecular Weight: 165.232200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GQZXRLWUYONVCP-UHFFFAOYSA-N

• 2-sec-Butyl-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-[1,2,4]triazol-3-one
IUPAC Name: 2-butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one | CAS Registry Number: 106461-41-0
Synonyms: 2,4-Dihydro-4-[(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazole-3-one, AP-312/40633641, 1-(sec-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one, 2,4-Dihydro-4-[4-[4-(4-hydroxylphenyl)piperazin-1-yl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one, 2-sec-butyl-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-sec-butyl-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one, 2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one, 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one, 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl]-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one, AC1NBLCW, PubChem20730, SureCN2543291, Oprea1_160322, MLS000705004, Jsp000584, CTK8B7922, MolPort-000-150-104, HMS2553F09, ACT01843, ANW-58946

Molecular Formula: C22H27N5O2Molecular Weight: 393.482080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FFAQILVGBAELHN-UHFFFAOYSA-N

• 2-Amino-4-Methyl-3-Nitro Pyridine
IUPAC Name: 1-[6-(4-methoxy-3-methylphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one | CAS Registry Number: 6635-86-5
Synonyms: Oprea1_191768, CID5494474, EU-0046576, AN-655/15260140, methyl 2-methyl-4-[3-(methylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl ether

Molecular Formula: C22H22N4O3SMolecular Weight: 422.500080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WRHSLNWEGPMRHM-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl) Piperazine
IUPAC Name: 1-(2,3-dichlorophenyl)piperazin-4-ium | CAS Registry Number: 41202-77-1
Synonyms: ZINC00386729, CID6950013

Molecular Formula: C10H13Cl2N2+Molecular Weight: 232.129620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-O

• 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine
IUPAC Name: 5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 1004-76-8
Synonyms: 4,5-Diamino-2-thiouracil, 5,6-Diamino-2-thiouracil, D17807_ALDRICH, 4,5-Diamino-6-hydroxy-2-thiopyrimidine, Uracil, 5,6-diamino-2-thio-, ALD-N037856, NSC45759, EINECS 213-727-5, NSC 45759, ZINC00967309, ZINC01081263, 4,5-Diamino-2-mercaptopyrimidin-6-ol, 4,5-Diamino-2-mercaptopyrimidine-6-ol, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, AI3-52253, TL8000054, 5,6-diamino-2-sulfanylpyrimidin-4(3H)-one, Uracil, 5,6-diamino-2-thio- (VAN) (8CI), AC-907/25005461, 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-

Molecular Formula: C4H6N4OSMolecular Weight: 158.181640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: QYSWOQHLIDKEOL-UHFFFAOYSA-N

• 4-(1H-1,2,4-Triazolylmethyl)benzonitrile
IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzonitrile | CAS Registry Number: 112809-25-3
Synonyms: 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, CHEMBL1825020, SBB055139, 4-(1,2,4-triazol-1-ylmethyl)benzonitrile, 4-(1H-1,2,4-Triazol-1-ylmethyl)-benzonitrile, 4-((1H-1,2,4-triazol-1-yl)methyl)benzonitrile, 4-[1-(1,2,4-Triazolyl)methyl]benzontrile, 4-(1,2,4-triazolylmethyl)benzenecarbonitrile, 4-[(1h-1,2,4-triazol-1-yl)methyl]benzonitrile, ZINC05177719, AC1ONMHB, PubChem14356, AC1Q4R34, BEN164, SCHEMBL2285580, Jsp000988, CTK7C7789, HQLYWHSJALKYOV-UHFFFAOYSA-N, MolPort-000-143-352, ACT08694

Molecular Formula: C10H8N4Molecular Weight: 184.197320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HQLYWHSJALKYOV-UHFFFAOYSA-N

• 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
IUPAC Name: ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate | CAS Registry Number: 112811-71-9
Synonyms: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester, ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate, 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylicacidethylester, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid ethyl ester, 1-Cyclopropyl-6,7-Difluoro-8-Methoxy-1,4-Dihydro-4-Oxo-3-Quinoline Carboxylic Acid Ethyl Ester, PubChem20717, ACMC-1C4ZE, SureCN1989474, Jsp000994, CTK0H4401, MolPort-003-847-565, ACT01933, AC-297, ANW-47398, SBB067143, ZINC02559584, AKOS005064002, AG-D-32255, RL00521, AK-40656

Molecular Formula: C16H15F2NO4Molecular Weight: 323.291406 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XPAOPAPDCRLMTR-UHFFFAOYSA-N

• 4-Amino-N-methylbenzenemethanesulfonamide
IUPAC Name: 1-(4-aminophenyl)-N-methylmethanesulfonamide | CAS Registry Number: 109903-35-7
Synonyms: 1-(4-aminophenyl)-N-methylmethanesulfonamide, ST50825454, {[(4-aminophenyl)methyl]sulfonyl}methylamine, ZINC02567350, PubChem3014, AC1MCSLQ, ACMC-1BNZX, SureCN631823, 647179_ALDRICH, BEN105, CTK4A6697, MolPort-001-766-011, 4-Amino-N-methylbenzylsulphonamide, ANW-44419, SBB092638, AKOS009158415, AG-D-26963, MCULE-7276367995, 4-Amino-N-methyl-alpha-toluenesulfonamide, 4-Animophenyl-N-methyl methanesulfonamide

Molecular Formula: C8H12N2O2SMolecular Weight: 200.258080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CIWNHTXCBHTWRV-UHFFFAOYSA-N

• 11-Chloro-Dibenzo[b,F][1,4]thiazepine
IUPAC Name: 6-chlorobenzo[b][1,4]benzothiazepine | CAS Registry Number: 13745-86-3
Synonyms: 11-chloro-dibenzo[b,f][1,4]thiazepine, Dibenzo[b,f][1,4]thiazepine, 11-chloro-, 11-chloro-dibenzo(b,f)(1,4)thiazepine, PubChem19938, SureCN8470, MLS004820230, DIB002, CTK4C0810, MolPort-003-845-794, ZINC21297881, 6-chlorobenzo[b][1,4]benzothiazepine, AKOS015901404, AC-5342, AG-D-76110, 11-Chlordibenzo[b,f][1,4]thiazepin;, 11-Chlorodibenzo[b,f][1,4]thiazepine, 6-chloranylbenzo[b][1,4]benzothiazepine, AK-33191, KB-10980, R462

Molecular Formula: C13H8ClNSMolecular Weight: 245.727320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZFOZNNFYECYUQB-UHFFFAOYSA-N

• 2-Pentylcyclopent-2-En-1-One
IUPAC Name: 2-pentylcyclopent-2-en-1-one | CAS Registry Number: 25564-22-1
Synonyms: Amyl cyclopentenone, 2-Pentyl-2-cyclopenten-1-one, 2-Cyclopenten-1-one, 2-pentyl-, 2-Pentylcyclopent-2-en-1-one, 365343_ALDRICH, EINECS 247-104-4, BRN 1857975, BB_NC-0256, CID117549, ZINC02077861, LS-58373, 4-07-00-00195 (Beilstein Handbook Reference)

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ILHZVKAXFCDFMT-UHFFFAOYSA-N

• 1,3,5-Tris(aminomethyl)-2,4,6-Triethylbenzene
IUPAC Name: [3,5-bis(azaniumylmethyl)-2,4,6-triethylphenyl]methylazanium | CAS Registry Number: 149525-65-5
Synonyms: ZINC04202545

Molecular Formula: C15H30N3+3Molecular Weight: 252.418800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 0

InChIKey: DBOPPHIBSRVLLK-UHFFFAOYSA-Q

• 2-Amino-4-Chloro-6-Ethylpyrimidine
IUPAC Name: 4-chloro-6-ethylpyrimidin-2-amine | CAS Registry Number: 5734-67-8
Synonyms: 4-chloro-6-ethylpyrimidin-2-amine, 2-Amino-4-chloro-6-ethylpyrimidine, SBB051959, 2-pyrimidinamine, 4-chloro-6-ethyl-, 4-chloro-6-ethyl-pyrimidin-2-ylamine, PYR058, CTK5A6699, MolPort-003-983-374, 2-Amino-4-chloro-6ethylpyrimidine, 2-Pyrimidinamine,4-chloro-6-ethyl-, ANW-65680, RW3364, ZINC16696814, 6-chloro-4-ethylpyrimidine-2-ylamine, AKOS006283504, AG-C-02926, AG-G-02216, QC-1966, AK-89417, KB-19867

Molecular Formula: C6H8ClN3Molecular Weight: 157.600820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GZOWPTJWHDWHPK-UHFFFAOYSA-N

• 2-Amino-6-Ethylpyrimidin-4-Ol
IUPAC Name: 2-amino-6-ethyl-1H-pyrimidin-4-one | CAS Registry Number: 5734-66-7
Synonyms: 2-amino-6-ethylpyrimidin-4-ol, ALBB-005050, CAM032812, STK501565, 2-amino-6-ethyl-1H-pyrimidin-4-one, CID11446372

Molecular Formula: C6H9N3OMolecular Weight: 139.155160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QDSSWFSXBZSFQO-UHFFFAOYSA-N

• 2'-Methylbiphenyl-2-Carboxylic Acid
IUPAC Name: 2-(2-methylphenyl)benzoic acid | CAS Registry Number: 7111-77-5
Synonyms: 2-(2-Methylphenyl)benzoic acid, 2'-Methyl-biphenyl-2-carboxylic acid, 2'-methyl-[1,1'-biphenyl]-2-carboxylic acid, SureCN656, ACMC-209ohb, AC1O4ZU5, Ambcb4400422, BIP013, CTK2H6912, 2-(2-Methylphenyl)benzoic acid,, MolPort-000-927-551, 2'-methylbiphenyl-2-carboxylic acid, ANW-35997, AKOS002683501, AG-A-23162, AG-G-78340, BB 0223553, 2'-methyl[1,1'-biphenyl]-2-carboxylic acid, B-3889, [1,1'-Biphenyl]-2-carboxylicacid, 2'-methyl-

Molecular Formula: C14H12O2Molecular Weight: 212.243880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GOAWMKUDICJPHY-UHFFFAOYSA-N

• 3-Nitrocinnamic Acid
IUPAC Name: (E)-3-(3-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 1772-76-5
Synonyms: 3-Nitrocinnamic acid, m-Nitrocinnamic acid, Cinnamic acid, m-nitro, trans-3-Nitrocinnamic acid, 3-nitro-cinnamic acid, Cinnamic acid, m-nitro-, 3-Nitrobenzenepropenoic acid, CCRIS 1667, 130192_ALDRICH, ARONIS013881, NSC 5408, 74135_FLUKA, EINECS 209-104-2, AIDS019389, AIDS-019389, 2-Propenoic acid, 3-(3-nitrophenyl)-, CID687126, STK364573, trans-3-(3-Nitrophenyl)acrylic acid, AI3-08847

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WWXMVRYHLZMQIG-SNAWJCMRSA-N

• 5-Amino-2-Methyl-4(1h)-Pyrimidinone
IUPAC Name: 5-amino-2-methyl-1H-pyrimidin-6-one | CAS Registry Number: 53135-22-1
Synonyms: 5-Amino-2-methyl-4(1H)-pyrimidinone, 5-amino-2-methylpyrimidin-4(3H)-one, PubChem2081, SureCN10996697, PYR087, CTK4J7117, MolPort-000-001-227, ANW-57453, SBB069820, ZINC20387787, AKOS006331057, AKOS015892549, 5-amino-2-methyl-1H-pyrimidin-6-one, 5-amino-2-methylpyrimidin-4(1H)-one, AG-F-81911, 5-azanyl-2-methyl-1H-pyrimidin-6-one, 4(3H)-Pyrimidinone,5-amino-2-methyl-, 4(1H)-Pyrimidinone, 5-amino-2-methyl-, AK-87012, EN001614

Molecular Formula: C5H7N3OMolecular Weight: 125.128580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AIFSFPXTFOBDNI-UHFFFAOYSA-N


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