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Shanghai FWD Chemcials Limited

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Profile: Shanghai FWD Chemcials Limited provide fine chemicals, API, Intermediates and natural extract for global customers and are sophisticated in chemicals customizing, distributing, and mass production over ten years. We own a diversified and wide-ranging product set. Some of the functions enhanced by our products include: Fluoro aromatic compounds, pyridines / pyrimidine s/ pyrazines, piperazines/piperidines/pyrrolidines and amino acids etc. We are a team of great scientists, strict quality controllers, cordial customer support specialists and experienced business professionals dedicated to the high quality, cost-efficiency, timely response and the maximization benefit of our customers. As a Chinese local company, we are familiar with international framework for trade with near 10 years experience in export and can promise the best service for customers abroad. We are developing an inventory of compounds to meet the prompt demand and appreciate suggestions from you and your staff about products that we might offer.

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• Amlodipine
IUPAC Name: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 88150-42-9
Synonyms: amlodipine, Norvasc, Amlocard, Amlodis, Coroval, Lipinox, Lotrel, Exforge, Amlodipinum [Latin], Mixture Name, Amlodipino [Spanish], Amlodipine besilate, AMLODIPINE BASE, Amlodipine (INN), Norvasc (TN), Amlodipine Free Base, Ambap6294, Amlodipine [INN:BAN], Spectrum2_000486, Spectrum3_001004

Molecular Formula: C20H25ClN2O5Molecular Weight: 408.875900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: HTIQEAQVCYTUBX-UHFFFAOYSA-N

• Amlodipine Maleate
IUPAC Name: (Z)-but-2-enedioic acid; 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 88150-47-4
Synonyms: Amvaz, Amlodipine maleate, Amvaz (TN), Amlodipine maleate [USAN], Amlodipine maleate (USAN), Amlodipine (+-)-form maleate, C20H25ClN2O5.C4H4O4, UK 48,340-11, LS-178036, D02914, 3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (+-)-, (Z)-2-butenedioate (1:1), 3-Ethyl 5-methyl (+-)-2-((2-aminoethoxy)methyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate, maleate (1:1), 88150-42-9

Molecular Formula: C24H29ClN2O9Molecular Weight: 524.948060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: TZNOWAJJWCGILX-BTJKTKAUSA-N

• Amodiaquine dihydrochloride
IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol dihydrate dihydrochloride | CAS Registry Number: 6398-98-7
Synonyms: Flavoquine, Camoquin, Prestwick_677, Amodiaquine hydrochloride, CAM-AQ 1, CAMOQUIN HYDROCHLORIDE, Camoquin hydrochloride (TN), Amodiaquin dihydrochloride dihydrate, Amodiaquine hydrochloride (USP), Amodiaquine hydrochloride [USAN], Amodiaquin dihydrochlorid-2-wasser, Amodiaquine dihydrochloride dihydrate, NCGC00017063-01, SN 10751, CAS-6398-98-7, D02466, 4-((7-Chloro-4-quinolyl)amino)-alpha-(diethylamino)-o-cresol dihydrochloride dihydrate, o-Cresol, 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-, dihydrochloride, dihydrate, Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)-, dihydrochloride, dihydrate

Molecular Formula: C20H28Cl3N3O3Molecular Weight: 464.813620 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 6

InChIKey: YVNAYSHNIILOJS-UHFFFAOYSA-N

• Amoxapine
IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine | CAS Registry Number: 14028-44-5
Synonyms: amoxapine, Asendin, Amoxepine, Demolox, Moxadil, Amoxan, Desmethylloxapin, Desmethylloxapine, Prestwick_503, Asendin (TN), Amoxapinum [INN-Latin], Amoxapina [INN-Spanish], Spectrum_000446, Lopac-A-129, Prestwick0_000102, Prestwick1_000102, Prestwick2_000102, Prestwick3_000102, Spectrum2_001245, Spectrum3_001067

Molecular Formula: C17H16ClN3OMolecular Weight: 313.781440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QWGDMFLQWFTERH-UHFFFAOYSA-N

• Amoxicillin Sodium
IUPAC Name: sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 34642-77-8
Synonyms: Acuotricina, Quimiopen, Trifamox, Amitron, Alfida, Amoxicillin sodium, Amoxicillin natrium, Alfoxil Enjektabl, Agram IM, Riotapen [inj.], Ibiamox [inj.], Moxacin [inj.], Penamox [inj.], Lamoxy [inj.], Danoxillin [inj.], Novabritine [inj.], Amoxicillin sodium (USAN), Amoxicillin sodium [USAN], BRL 23333AB-B, CHEBI:51255

Molecular Formula: C16H18N3NaO5SMolecular Weight: 387.385990 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: BYHDFCISJXIVBV-YWUHCJSESA-M

• Amoxycillin
IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 26787-78-0
Synonyms: amoxicillin, D-Amoxicillin, Amopenixin, Delacillin, Histocillin, Amoxiden, Amoxivet, Anemolin, Bristamox, Clamoxyl, Flemoxin, Hiconcil, Imacillin, Unicillin, Vetramox, Amoclen, Amoxicillin anhydrous, Aspenil, Cemoxin, Efpenix

Molecular Formula: C16H19N3O5SMolecular Weight: 365.404160 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: LSQZJLSUYDQPKJ-NJBDSQKTSA-N

• Ampicillin
IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 69-53-4
Synonyms: ampicillin, Omnipen, Ampicillin acid, Tokiocillin, Principen, Synpenin, Amcill, D-Ampicillin, Bonapicillin, Racenacillin, Totalciclina, Adobacillin, Ampicilline, Amplacilina, Amplipenyl, Campicillin, Copharcilin, Divercillin, Doktacillin, Duphacillin

Molecular Formula: C16H19N3O4SMolecular Weight: 349.404760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: AVKUERGKIZMTKX-NJBDSQKTSA-N

• Ampicillin Sodium
IUPAC Name: sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 69-52-3
Synonyms: ampicillin, Viccillin, Ampiplus Simplex, Sodium ampicillin, AMPICILLIN SODIUM, Omnipen-N, Ampicillin sodium salt, Ampicillin natrium, Viccillin (TN), Prestwick_822, Omnipen-N (TN), MLS000028726, A0166_SIGMA, A8351_SIGMA, SPECTRUM1500123, A2804_SIAL, A9518_SIAL, Ampicillin sodium (JP15/USP), CHEBI:34535, SMR000059229

Molecular Formula: C16H18N3NaO4SMolecular Weight: 371.386590 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KLOHDWPABZXLGI-YWUHCJSESA-M

• Ampicillin Trihydrate
IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate | CAS Registry Number: 7177-48-2
Synonyms: Polycillin, Trafarbiot, Ampinova, Amperil, Amcill, Amcap, Cymbi, ampicillin, ukopen, vidopen, Divercillin, Princillin, Probampacin, Totacillin, Ampichel, Lifeampil, Penbritin, Principen, Acillin, Ampikel

Molecular Formula: C16H25N3O7SMolecular Weight: 403.450600 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: RXDALBZNGVATNY-CWLIKTDRSA-N

• Ampiroxicam
IUPAC Name: ethyl 1-[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)benzo[e]thiazin-4-yl]oxyethyl carbonate | CAS Registry Number: 99464-64-9
Synonyms: ampiroxicam, Flucam, Nacyl, Ampiroxicamum [Latin], Ampiroxicam (+-), Flucam (TN), Ampiroxicam (JAN/INN), Ampiroxicam [BAN:INN:JAN], MLS001424306, C20H21N3O7S, CID2176, BRN 5184713, CP 65703, NCGC00164605-01, CP-65703, CPD000469285, LS-52047, SAM001246707, SMR000469285, D01397

Molecular Formula: C20H21N3O7SMolecular Weight: 447.461640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: LSNWBKACGXCGAJ-UHFFFAOYSA-N

• Amprenavir
IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 161814-49-9
Synonyms: amprenavir, Agenerase, Prozei, Vertex, Vertex VX478, 1hpv, Amprenavir [USAN], Agenerase (TM), Agenerase (TN), GNA & Amprenavir, HHA & Amprenavir, 1t7j, VX-478, VX 478, HSDB 7157, Amprenavir (JAN/USAN/INN), DRG-0258, C25H35N3O6S, CHEBI:40050, KVX-478

Molecular Formula: C25H35N3O6SMolecular Weight: 505.626900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: YMARZQAQMVYCKC-OEMFJLHTSA-N

• Amprolium hydrochloride
IUPAC Name: 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine chloride hydrochloride | CAS Registry Number: 137-88-2
Synonyms: amprolium, Mepyrium, Amprol, Thiacoccid, Amprolsol vet, Corid vet, Amprol 25, Amprol 25 per cent, Corid 20%, Amprolium (TN), Prestwick_880, MLS002154169, A0542_SIGMA, SPECTRUM1500124, 46062_RIEDEL, EINECS 205-307-5, CID8732, NSC 523454, EINECS 221-272-9, NSC523454

Molecular Formula: C14H20Cl2N4Molecular Weight: 315.241400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PJBQYZZKGNOKNJ-UHFFFAOYSA-M

• Amrinone
IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one | CAS Registry Number: 60719-84-8
Synonyms: inamrinone, Wincoram, Inocor, Cordemcura, Amcoral, Cartonic, Cordarex, Amrinon, Inamrinone lactate, Prestwick_44, Amrinonum [INN-Latin], Inamrinone (USP), Amcoral (TN), Amrinona [INN-Spanish], Amrinone (JAN/INN), Spectrum_001350, Prestwick0_000800, Prestwick1_000800, Prestwick2_000800, Prestwick3_000800

Molecular Formula: C10H9N3OMolecular Weight: 187.197960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-N

• Anagrelide HCL
IUPAC Name: 6,7-dichloro-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one hydrochloride | CAS Registry Number: 58579-51-4
Synonyms: Agrylin, Agrelin, Xagrid, anagrelide, Thromboreductin, Anagrelid hydrochlorid, Agrylin (TN), ANAGRELIDE HYDROCHLORIDE, Anagrelide Hydrocholoride, C10H7Cl2N3O.HCl, Anagrelide hydrochloride [USAN], MLS001401396, Anagrelide hydrochloride (USAN), BL 4162A, BL4162A, KRN-654, BL-4162A, NSC724577, BMY-26538-01, CPD000469168

Molecular Formula: C10H8Cl3N3OMolecular Weight: 292.549020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: TVWRQCIPWUCNMI-UHFFFAOYSA-N

• Analgin
IUPAC Name: sodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate | CAS Registry Number: 68-89-3
Synonyms: dipyrone, Metamizolum, Methampyrone, Analginum, Metamizol, Metamizole, Analgine, Metamizolnatrium, sulpyrine, Novaminsulfonum, Methylmelubrin, Neomelurbrin, Novamidazophen, Novaminsulfon, Novaminsulfone, Algocalmin, Algopyrine, Farmolisina, Nevralgina, Novalgetol

Molecular Formula: C13H16N3NaO4SMolecular Weight: 333.338610 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: DJGAAPFSPWAYTJ-UHFFFAOYSA-M

• Andrographolide
IUPAC Name: (3E)-3-[2-[(1R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one | CAS Registry Number: 5508-58-7
Synonyms: Andrographis, EINECS 226-852-5, NSC 383468, C20H30O5, CID6436016, LS-70361, 2(3H)-Furanone, 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-, (1R-(1-alpha(E(S*)),4a-beta,5-alpha,6-alpha,8a-alpha))-, 3-(2-(Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one

Molecular Formula: C20H30O5Molecular Weight: 350.449200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: BOJKULTULYSRAS-ZJFCSBQFSA-N

• Anilinodiethylphosphonate
IUPAC Name: N-diethoxyphosphorylaniline | CAS Registry Number: 1445-38-1
Synonyms: Diethyl phosphoroanilidate, Diethyl anilidophosphate, Diethyl phenylamidophosphate, CBDivE_014212, MLS000532606, MLS000737795, Diethyl N-phenylphosphoramidate, Phenylphosphoramidic acid diethyl ester, NSC16105, BRN 2214364, PHOSPHORAMIDIC ACID, PHENYL-, DIETHYL ESTER, ZINC01662389, AI3-51248, SMR000137545, LS-107353, ST5409622, 4-12-00-01082 (Beilstein Handbook Reference)

Molecular Formula: C10H16NO3PMolecular Weight: 229.212701 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GESBKELMKMNZLZ-UHFFFAOYSA-N

• Anisyl Propanal
IUPAC Name: 3-(4-methoxyphenyl)propanal | CAS Registry Number: 20401-88-1
Synonyms: 3-(4-methoxyphenyl)propanal, 3-(4-METHOXYPHENYL)PROPIONALDEHYDE, ANISYL PROPANAL, PubChem10913, ACMC-20ah16, Benzenepropanal,4-methoxy-, 4-METHOXY-BENZENEPROPANAL, CTK4E4126, MolPort-008-485-703, 4-METHOXYHYDROCINNAMALDEHYDE, BENZENEPROPANAL, 4-METHOXY-, 3-(4-methoxyphenyl)-propionaldehyde, ANW-73000, ZINC02568153, AKOS010077097, AB06888, AG-E-49545, Ethyl,1-formyl-2-(4-methoxyphenyl)-, AK109187, KB-27144

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

InChIKey: ZOXCMZXXNOSBHU-UHFFFAOYSA-N

• Antimycin A1
IUPAC Name: [3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate | CAS Registry Number: 642-15-9
Synonyms: antimycin A1, Antimycin A, EINECS 211-380-4, C28H40N2O10, LS-86460, C11339, 3-(3-Formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate, Butanoic acid, 2(or 3)-methyl-, (2R,3S,6S,7R,8R)-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, Butanoic acid, 2(or 3)-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-, Isovaleric acid, 8-ester with 3-formamido-N-(7-hexyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)salicylamide, ISOVALERIC ACID, 8-ESTER with 3-FORMAMIDO-N-(7-HEXYL-8-HYDROXY-4,9-DIMETHYL-2,6-, 27220-56-0, 37341-24-5, Butanoic acid, 2(or 3)-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester

Molecular Formula: C28H40N2O9Molecular Weight: 548.625200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: UIFFUZWRFRDZJC-UHFFFAOYSA-N

• Arabinofuranosyluracil
IUPAC Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 3083-77-0
Synonyms: Spongouridin, Spongouridine, Arauridine, Arabinosyluracil, Uracil arabinoside, Uridine arabinoside, Ara-U, Spongouridine (VAN), ARABINOFURANOSYLURACIL, 1-beta-D-Arabinofuranosyluracil, 1beta-D-Arabinofuranosyluracil, 1-beta-D-Arabinofurnosyluracil, Uracil-beta-D-arabinofuranoside, U5377_SIGMA, STOCK1N-03114, EINECS 221-386-9, Uracil, 1-beta-D-arabinofuranosyl-, NSC 68928, Uracil 1-beta-D-arabinofuranoside, BRN 0028749

Molecular Formula: C9H12N2O6Molecular Weight: 244.201380 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: DRTQHJPVMGBUCF-CCXZUQQUSA-N

• Arginine Aspartate
IUPAC Name: 2-aminobutanedioic acid; (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid | CAS Registry Number: 7675-83-4
Synonyms: ARGININE ASPARTATE, L-Arginine, L-aspartate, EINECS 231-656-8, CID24325, LS-21578, L-Aspartic acid, compd. with L-arginine (1:1), L-Aspartic acid, compound with L-arginine (1:1), 3054-35-1

Molecular Formula: C10H21N5O6Molecular Weight: 307.303640 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 11

InChIKey: SUUWYOYAXFUOLX-PGMHMLKASA-N

• ARGIPRESSIN ACETATE, 98%
IUPAC Name: acetic acid;(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide | CAS Registry Number: 129979-57-3
Synonyms: Argipressin acetate, Arginine vasopressin, [Arg8]Vasopressin acetate, [8-Arginine]Vasopressin acetate, [Arg8]-Vasopressin acetate salt, AVP, Argpressin acetate, NCGC00166306-01, AVP ACETATE SALT, ARGIPRESSINE ACETATE, DSSTox_CID_26597, DSSTox_RID_81753, DSSTox_GSID_46597, MLS000517260, V9879_SIGMA, 94836_FLUKA, 94836_SIGMA, BETA-HYPOPHAMINE ACETATE SALT, Tox21_112403, ANTIDIURETIC HORMONE ACETATE SALT

Molecular Formula: C48H69N15O14S2Molecular Weight: 1144.283560 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 18

InChIKey: ZHFGXNMADRRGQP-HPILINOVSA-N

• Aristolochic Acid (I+II)
IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid;6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid | CAS Registry Number: 67123-64-2
Synonyms: CCRIS 52, Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-, bis(8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylate), Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-, 6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylate (2:1)

Molecular Formula: C50H31N3O20Molecular Weight: 993.789240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 20

InChIKey: FGGYSLIDOXIJNP-UHFFFAOYSA-N

• Asiatic Acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 464-92-6
Synonyms: Asiatic acid, Ambap908, CID119034, NSC 166063, NSC-166063, LS-193512, C08617, Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-, Urs-12en-28-oic acid, 2,3,23-trihydroxy-, (2alpha, 3beta, 4alpha)-, 0AS

Molecular Formula: C30H48O5Molecular Weight: 488.699120 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: JXSVIVRDWWRQRT-UYDOISQJSA-N

• Asiaticoside
IUPAC Name: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate | CAS Registry Number: 16830-15-2
Synonyms: Asiaticosid, Emdecassol, Madecassol, Dermatologico, Centelase, Blastoestimulina, Ba 2742, CCRIS 8995, EINECS 240-851-7, NSC 166062, BRN 0078195, C48H78O19, NSC166062, LS-160852, 4-17-00-03627 (Beilstein Handbook Reference), (O-alpha-L-Rhamnopyranoxyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)-2alpha,3beta,23-trihydroxy-12-ursen-28-oat, 2alpha,3beta,23-Trihydroxy-urs-12-en-28-saeure(O-alpha-L-rhamnopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)ester, O-6-Deoxy-alpha-L-mannopyranosyl-(1.4)-O-beta-D-glucopyranosyl-(1.6)-beta-D-glucopyranosyl (2alpha,3beta,4alpha)-2,3,23-trihydroxyurs-12-en-28-oate, O-6-Desoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl 2alpha,3beta,23-trihydroxy-12-ursen-28-at, Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha)-

Molecular Formula: C48H78O19Molecular Weight: 959.121520 [g/mol]
H-Bond Donor: 12H-Bond Acceptor: 19

InChIKey: WYQVAPGDARQUBT-UHFFFAOYSA-N

• Atropine
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate | CAS Registry Number: 51-55-8
Synonyms: ATROPINE, dl-Hyoscyamine, Tropine tropate, hyoscyamine, Atropin, dl-Tropyltropate, Atropinol, Eyesules, Atropen, Isopto-atropine, Troyl tropate, Atropine sulfate, Atropin [German], Belladenal, Atropin-flexiolen, Atropina, Cytospaz, Donnagel, Donnatal, Anaspaz

Molecular Formula: C17H23NO3Molecular Weight: 289.369420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-N

• Aucubin
IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 479-98-1
Synonyms: Ambap2262, MEGxp0_001729, 55561_FLUKA, ACon1_002452, EINECS 207-540-8, AIDS031379, NSC 407293, AIDS-031379, CID91458, LMPR01020107, NSC407293, ZINC04098334, NCGC00169833-01, LS-183147, C09771, 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Molecular Formula: C15H22O9Molecular Weight: 346.329780 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-N

• Azasetron
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide | CAS Registry Number: 123040-69-7
Synonyms: Nazasetron, Azasetron [INN], Azasetron (INN), Ambap1302, Azasetron [superceded RN], azasetron, (+-)-isomer, Biomol-NT_000105, C17H20ClN3O3.HCl, C17H20ClN3O3, BPBio1_001397, NCGC00024563-02, LS-172550, LS-172551, TL8000615, D07481, Y 25130, Y-25130, (- )-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, (+-)-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide

Molecular Formula: C17H20ClN3O3Molecular Weight: 349.812000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WUKZPHOXUVCQOR-UHFFFAOYSA-N

• Azelastine HCI
IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride | CAS Registry Number: 79307-93-0
Synonyms: Astelin, Azeptin, Optivar, Allergodil, Radethazin, Corifina, Optilast, Rhinolast, Astepro, Afluon, Azep, AZELASTINE HCl, Astelin (TN), AZELASTINE HYDROCHLORIDE, Azelastine monohydrochloride, C22H24ClN3O.HCl, MLS001401427, SPECTRUM1505340, W-2979M, Azelastine hydrochloride [USAN:JAN]

Molecular Formula: C22H25Cl2N3OMolecular Weight: 418.359400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YEJAJYAHJQIWNU-UHFFFAOYSA-N

• Azlocillin sodium
IUPAC Name: sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 37091-65-9
Synonyms: Sodium azlocillin, Monosodium azlocillin, Azlocillin sodium salt, AZLOCILLIN SODIUM, CHEBI:51864, sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, sodium 2,2-dimethyl-6beta-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylate

Molecular Formula: C20H22N5NaO6SMolecular Weight: 483.473350 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: UVOCNBWUHNCKJM-XFAPPKAWSA-M

• Aztreonam
IUPAC Name: 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid | CAS Registry Number: 78110-38-0
Synonyms: aztreonam, Azactam, Primbactam, Prestwick_914, Prestwick2_000185, Prestwick3_000185, BSPBio_000109, NSC646279, BPBio1_000121, AIDS013397, AIDS-013397, CID5742832, NCGC00179656-01, SQ-26776, [2S-[2alpha,3beta(Z)]]-2-[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid, 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid

Molecular Formula: C13H17N5O8S2Molecular Weight: 435.432780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: WZPBZJONDBGPKJ-VEHQQRBSSA-N

• Baicalein
IUPAC Name: 5,6,7-trihydroxy-2-phenylchromen-4-one | CAS Registry Number: 491-67-8
Synonyms: baicalein, 5,6,7-Trihydroxyflavone, Biacalein, Sho-saiko-to, nchembio.65-comp3, Spectrum_000427, Tocris-1761, SpecPlus_000758, Spectrum2_000466, Spectrum3_001608, Spectrum4_000537, Spectrum5_001418, Oprea1_765614, BSPBio_003215, KBioGR_001173, KBioSS_000907, DivK1c_006854, SPECTRUM1504002, SPBio_000572, NSC661431

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

InChIKey: FXNFHKRTJBSTCS-UHFFFAOYSA-N

• Balofloxacin
IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 127294-70-6
Synonyms: Balofloxacin [INN], AIDS097624, AIDS-097624, CID65958, Q 35, NCGC00167532-01, LS-141556, TL8000675, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinoline arboxylic acid

Molecular Formula: C20H24FN3O4Molecular Weight: 389.420663 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: MGQLHRYJBWGORO-UHFFFAOYSA-N

• Balsalazide disodium dihydrate
IUPAC Name: disodium (3Z)-3-[[4-[(3-oxido-3-oxopropyl)carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate dihydrate | CAS Registry Number: 150399-21-6
Synonyms: Colazide, Balsalazide Disodium, Colazide (TN), Balsalazide disodium hydrate, Balsalazide disodium (USAN), Balsalazide disodium [USAN], D02715, Benzoic acid, 5-((1E)-(4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium salt, dihydrate

Molecular Formula: C17H17N3Na2O8Molecular Weight: 437.311720 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: HYSVUPBQPCRAJM-PIFVRXTCSA-L

• Bambermycin
IUPAC Name: (2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-carbamoyloxy-3-hydroxy-6-[hydroxy-[(2R)-2-hydroxy-3-oxo-3-[(3E,7E,14E)-4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraenoxy]propoxy]phosphoryl]oxy-3-methyloxane-2-carboxylic acid | CAS Registry Number: 11015-37-5
Synonyms: Bambermycins, Flavomycin, Flavofosfolipol, Moenomycin, Menomycin, Gainpro, Flavophospholipol, Flavomycins, Moenomycins, Flavophospholipols, Flavomycin (TN), Bambermycins [USAN], MOENOMYCIN A, Bambermycins (USAN), Bambermycine [INN-French], Bambermycinum [INN-Latin], Bambermicina [INN-Spanish], EINECS 234-246-7, C70H109N4O35P, NCGC00181293-01

Molecular Formula: C70H109N4O35PMolecular Weight: 1597.594021 [g/mol]
H-Bond Donor: 18H-Bond Acceptor: 35

InChIKey: FUIOWSNNCWZETH-NAMXWVJMSA-N

• Basic violet 14
IUPAC Name: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline | CAS Registry Number: 3248-93-9
Synonyms: Rosaniline, para-Rosaniline, Rosaniline base, Fuchsive base, Fuchsine Base, Fuchsin (basic), Waxoline Red A, Basic fuchsin, Fuchsine HF Base, Magenta I, Fuchsine SPC, MAGENTA BASE, CI Solvent Red 41, C.I. Solvent Red 41, Brilliant Oil Crimson Base, C.I. Basic Violet 14, NCIMech_000176, Neuro_000040, C.I. 42510 acetate, HSDB 2955

Molecular Formula: C20H19N3Molecular Weight: 301.384960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: YDCMWLQSPFTWCS-UHFFFAOYSA-N

• Benazepril
IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid | CAS Registry Number: 86541-75-5
Synonyms: benazepril, Lotrel, benazapril, benzazepril, Lotensin, Mixture Name, Benazepril Sandoz, Benazeprilum [Latin], Benazepril (INN), Forteekor [veterinary], Spectrum_001922, Benazepril [INN:BAN], Benazepril Sandoz (TN), Spectrum2_000482, Spectrum3_001674, Spectrum4_000286, Spectrum5_001546, BSPBio_003487, KBioGR_000812, KBioSS_002464

Molecular Formula: C24H28N2O5Molecular Weight: 424.489520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XPCFTKFZXHTYIP-PMACEKPBSA-N

• Benfotiamine
IUPAC Name: S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate | CAS Registry Number: 22457-89-2
Synonyms: benfotiamine, Benphothiamine, Nitanevril, Vitanevril, Betivina, Biotamin, Neurostop, Tabiomyl, Berdi, benfothiamine, BTMP-benfo, BTMP, Prestwick_68, Benfotiaminum [INN-Latin], Benfotiamina [INN-Spanish], Benzoylthiamine monophosphate, Prestwick2_000654, Prestwick3_000654, Thiamine monophosphate benzoyl, S-Benzoylthiamine O-monophosphate

Molecular Formula: C19H23N4O6PSMolecular Weight: 466.447881 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: BTNNPSLJPBRMLZ-LGMDPLHJSA-N

• Benidipine hydrochloride
IUPAC Name: 5-O-methyl 3-O-[(3R)-1-(phenylmethyl)piperidin-3-yl] (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 105979-17-7
Synonyms: Benidipene, Benidipine, Benidipine (INN), D07509, methyl (3R)-1-(phenylmethyl)piperidin-3-yl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Molecular Formula: C28H31N3O6Molecular Weight: 505.562240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-N

• BENPROPERINE PHOSPHATE CP2000
IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine; phosphoric acid | CAS Registry Number: 19428-14-9
Synonyms: benproperine phosphate, Blascorid, Flaveric, Pirexyl phosphate, Pirexyl, Flaveric (TN), Benproperine phosphate (JAN), MLS001424068, Benproperine trihydrogen phosphate, NIOSH/TN1260200, EINECS 243-050-0, ASA 158-5, MolPort-005-934-830, HMS2051H03, EINECS 222-635-4, CID167811, CPD000469294, SAM001246739, SMR000469294, LS-115677

Molecular Formula: C21H30NO5PMolecular Weight: 407.440361 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MCVUURBOSHQXMK-UHFFFAOYSA-N

• Benzaldehyde, 5-Chloro-2,4-Difluoro-
IUPAC Name: 5-chloro-2,4-difluorobenzaldehyde | CAS Registry Number: 695187-29-2
Synonyms: 5-Chloro-2,4-difluorobenzaldehyde, PubChem1431, CTK7H8826, MolPort-003-984-771, ACT00377, ANW-46246, ZINC26892859, AKOS006284928, AG-C-23868, AK-86447, KB-42697, 5-chloranyl-2,4-bis(fluoranyl)benzaldehyde, FT-0692691, W7930, A836525

Molecular Formula: C7H3ClF2OMolecular Weight: 176.547926 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JQYSGEFOABIZKR-UHFFFAOYSA-N

• Benzeneacetic acid, 3-chloro--methyl-
IUPAC Name: 2-(3-chlorophenyl)propanoic acid | CAS Registry Number: 14161-84-3
Synonyms: 2-(3-Chlorophenyl)propanoic acid, AGN-PC-00KXQS, SureCN1917129, CTK4C2724, MolPort-008-483-170, ANW-63963, AKOS008151863, Benzeneacetic acid,3-chloro-a-methyl-, AB14392, AG-D-82783, MCULE-6523517926, 2-(3-CHLOROPHENYL)PROPIONIC ACID, AK-59290, KB-221725, 2-(3-CHLORO-PHENYL)-PROPIONIC ACID, BB 0260686, EN300-90386, 2-METHYL-2(3'-CHLOROPHENYL)ACETIC ACID, 3-CHLORO-ALPHA-METHYL-BENZENEACETIC ACID, BENZENEACETIC ACID, 3-CHLORO-ALPHA-METHYL-

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YRUBJDXEYFCYCX-UHFFFAOYSA-N

• Benzhydrylidene methylamine
IUPAC Name: N-methyl-1,1-diphenylmethanimine | CAS Registry Number: 13280-16-5
Synonyms: N-(Diphenylmethylene)methanamine, ZINC02391905, Benzophenone, methylimine, AC1Q4SZJ, Benzhydrylidene methylamine;, benzhydrylidene-methyl-amine, AC1LB54P, benzylhydrylidine methylamine, CTK8F7962, N-methyl-1,1-diphenylmethanimine, AR-1J9989, AKOS006345218, AC-6570, AG-J-49276, KB-47574, I14-39263

Molecular Formula: C14H13NMolecular Weight: 195.259720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CCMGSLBRZVENEP-UHFFFAOYSA-N

• Benzhydrylsulfanyl acetic acid
IUPAC Name: 2-[di(phenyl)methylsulfanyl]acetate | CAS Registry Number: 63547-22-8
Synonyms: ZINC02616117, CID2077885

Molecular Formula: C15H13O2S-Molecular Weight: 257.327520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HTHFEDOFDBZPRX-UHFFFAOYSA-M

• Benzobarbitone
IUPAC Name: 1-(benzoyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione | CAS Registry Number: 744-80-9
Synonyms: Benzobarbital, Benzoylluminal, Benzoyluminal, Benzonalum, Benzonal, Benzoylphenobarbital, Benzobarbital [INN], Benzobarbitalum [INN-Latin], Oprea1_179037, C19H16N2O4, CID12938, BRN 0627140, 1-Benzoyl-5-ethyl-5-phenylbarbituric acid, 5-Ethyl-1-benzoyl-5-phenylbarbituric acid, NCGC00160414-01, LS-23803, N-Benzoyl-5-ethyl-5-phenylbarbituric acid, BARBITURIC ACID, 1-BENZOYL-5-ETHYL-5-PHENYL-, 5-24-09-00293 (Beilstein Handbook Reference), 1-Benzoyl-5-ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidine

Molecular Formula: C19H16N2O4Molecular Weight: 336.341340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QMOWPJIFTHVQMB-UHFFFAOYSA-N

• Benzofuran-5-boronic acid
IUPAC Name: 1-benzofuran-5-ylboronic acid | CAS Registry Number: 331834-13-0
Synonyms: TL8007056, Y77092

Molecular Formula: C8H7BO3Molecular Weight: 161.950380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WYXQQAYIAJRORT-UHFFFAOYSA-N

• Benzonitrile, 2,5-bis[(methylsulfonyl)oxy]-
IUPAC Name: 3,5-bis(methylsulfonyl)benzonitrile | CAS Registry Number: 169696-83-7
Synonyms: 3,5-bis(methylsulfonyl)benzonitrile, 3,5-bis(methylsulphonyl)benzonitrile, 3,5-dimethanesulfonylbenzonitrile, ZINC00154186, AC1MC46K, Ambpe2009200, 3,5-BIS BENZONITRILE, CTK7C7162, MolPort-000-159-643, SBB102187, AKOS015852475, RTR-040824, AJ-13173, AK-63254, KB-95467, ZB005696, 3,5-bis(methylsulfonyl)benzenecarbonitrile, TR-040824, I14-37075, 3B3-009042

Molecular Formula: C9H9NO4S2Molecular Weight: 259.302060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: RZFPKGRAQZGUPA-UHFFFAOYSA-N

• Benzophenone-3-propionitrile
IUPAC Name: 2-[3-(benzoyl)phenyl]acetonitrile | CAS Registry Number: 21288-34-6
Synonyms: 3-Benzoylphenylacetonitrile, 3-BENZOYLBENZYLCYANIDE, EINECS 244-315-3, TL8001768

Molecular Formula: C15H11NOMolecular Weight: 221.253940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MHKMCTCMEDUINO-UHFFFAOYSA-N

• Benzothiophene sulfoxide
IUPAC Name: 1-benzothiophene 1-oxide | CAS Registry Number: 51500-42-6
Synonyms: Benzo(b)thiophene S-oxide, Benzo(b)thiophene, 1-oxide, NSC202038

Molecular Formula: C8H6OSMolecular Weight: 150.197640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: TVBBBGXDQQURHJ-UHFFFAOYSA-N

• Benzotriazol-1-yl-acetic acid
IUPAC Name: 2-(benzotriazol-1-yl)acetic acid | CAS Registry Number: 4144-64-3
Synonyms: 1-Benzotriazoleacetic acid, 1H-Benzotriazole-1-acetic acid, Oprea1_418397, Oprea1_727191, MLS000703216, ALBB-005195, NSC227393, SBB006998, 1H-1,2,3-benzotriazol-1-ylacetic acid, BAS 00890571, SMR000273680, AG-690/09549018

Molecular Formula: C8H7N3O2Molecular Weight: 177.160080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QOXXZTPKJWPIDK-UHFFFAOYSA-N


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