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Wuhan Pharma Chemical Co., Ltd.

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• Acetylspiramycin
IUPAC Name: [(1R,5R,7E,9E,11R,12R,14R,15S,16S)-15-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-16-methoxy-5,12-dimethyl-3-oxo-14-(2-oxoethyl)-4-oxa-1-yl] acetate | CAS Registry Number: 24916-51-6
Synonyms: Spiramycin II, acetylspiramycin, Foromacidine B, Foromacidin B, Spiramycin B, Acetylspiramycinum, Spiramycin 2, Acetylspiramycin (TN), Acetylspiramycin (JP15), C45H76N2O15, LMPK01000054, LS-145762, C12891, D02420, Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, Leucomycin V, 9-O-((2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, (9(2R,5S,6R))-, 1403-58-3, 1405-26-1, 18810-02-1

Molecular Formula: C45H76N2O15Molecular Weight: 885.089340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 17

InChIKey: ZPCCSZFPOXBNDL-RSMXASMKSA-N

• Acipimox
IUPAC Name: 5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid | CAS Registry Number: 51037-30-0
Synonyms: Olbetam, ACIPIMOX, Olbemox, Acipimox (INN/BAN), Acipimox [BAN:INN], Acipimoxum [INN-Latin], C6H6N2O3, BB_SC-2776, EINECS 256-928-3, 5-Methyl-2-pyrazincarbonsaeure-4-oxid, 5-Methylpyrazinecarboxylic acid 4-oxide, BRN 0777471, NCGC00160519-01, NCGC00160519-02, 5-Methyl-2-pyrazinecarboxylic acid 4-oxide, 5-methylpyrazine-2-carboxylic acid 4-oxide, LS-127587, 2-Pyrazinecarboxylic acid, 5-methyl-, 4-oxide, D07190, K 9321

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DJQOOSBJCLSSEY-UHFFFAOYSA-N

• Acridone
IUPAC Name: 10H-acridin-9-one | CAS Registry Number: 578-95-0
Synonyms: acridone, Acridanone, 9-Acridanone, 9-Acridone, Acridin-9-one, 9(10H)-ACRIDINONE, 9-Acridinol, 9(10H)-Acridone, acridin-9(10H)-one, 10H-acridin-9-one, 9(10H)-Acridanone, 9,10-Dihydro-9-oxoacridine, 7H-Dibenz(a,j)acrid-14-one, CCRIS 3317, Acridine, 9,10-dihydro-9-oxo-, MLS000551242, 150215_ALDRICH, ARONIS001302, 01670_FLUKA, CHEBI:50756

Molecular Formula: C13H9NOMolecular Weight: 195.216660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FZEYVTFCMJSGMP-UHFFFAOYSA-N

• Acrivastine
IUPAC Name: (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid | CAS Registry Number: 87848-99-5
Synonyms: ACRIVASTINE, Acrivastin, Semprex, Semprex-D, Mixture Name, Acrivastinum [Latin], Acrivastina [Spanish], Acrivastine (USAN/INN), BW 825C, BW-825C, Acrivastine [USAN:BAN:INN], Acrivastine [USAN:INN:BAN], BW A825C, BW825C, C22H24N2O2, CID5284514, LS-178016, D02760, (E)-6-((E)-3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)-2-pyridineacrylic acid, (E)-6-((E)-3-(1-Pyrrolidinyl-1-p-tolylpropenyl)-2-pyridinacrylsaeure

Molecular Formula: C22H24N2O2Molecular Weight: 348.438160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PWACSDKDOHSSQD-IUTFFREVSA-N

• Adefovir dipivoxil
IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate | CAS Registry Number: 142340-99-6
Synonyms: Hepsera, Preveon, Adefovir pivoxil, ADEFOVIR DIPIVOXIL, Adefovirdipivoxl, YouHeDing, adefovir depivoxil, Bis(pom)PMEA, Hepsera (TN), Piv2PMEA, ADEFOVIR, bis-POM PMEA, PMEA, Bis(POM)-PMEA, Ambap2538, Adefovir pivoxil (JAN), Adefovir dipivoxil (USAN), C20H32N5O8P, GS 840, GS-840

Molecular Formula: C20H32N5O8PMolecular Weight: 501.470541 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 13

InChIKey: WOZSCQDILHKSGG-UHFFFAOYSA-N

• Adenine
IUPAC Name: 7H-purin-6-amine | CAS Registry Number: 73-24-5
Synonyms: adenine, 6-Aminopurine, Adenin, Adeninimine, 1H-Purin-6-amine, Vitamin B4, Leuco-4, 2-aminopurine, Purine, 6-amino-, 9H-Purin-6-amine, Leucon, 6-Amino-1H-purine, 6-Amino-3H-purine, 6-Amino-7H-purine, 6-Amino-9H-purine, adenine-ring, Pedatisectine B, Adenine [JAN], 1jys, 1nli

Molecular Formula: C5H5N5Molecular Weight: 135.126700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

• Albendazole
IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate | CAS Registry Number: 54965-21-8
Synonyms: albendazole, Valbazen, Albenza, Eskazole, Zentel, Proftril, Bilutac, Metiazol, Zental, Albendoral, Bendapar, Digezanol, Disthelm, Endoplus, Gascop, Lurdex, Prestwick_675, Albenza (TN), Mediamix V Disthelm, Disthelm, Mediamix V

Molecular Formula: C12H15N3O2SMolecular Weight: 265.331400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-N

• Allopurinol
IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one | CAS Registry Number: 315-30-0
Synonyms: allopurinol, Zyloprim, Lopurin, Zyloric, Uripurinol, Atisuril, Bleminol, Embarin, Foligan, Milurit, Progout, Urosin, Anoprolin, Cellidrin, Epidropal, Suspendol, Alositol, Apulonga, Bloxanth, Caplenal

Molecular Formula: C5H4N4OMolecular Weight: 136.111460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N

• Altretamine
IUPAC Name: 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine | CAS Registry Number: 645-05-6
Synonyms: altretamine, Hexastat, Hexalen, Hemel, HEXAMETHYLMELAMINE, Hexinawas, Melamine, hexamethyl-, Hexalen (TN), Altretaminum [INN-Latin], Altretamine Lilly Brand, Spectrum_001308, Altretamina [INN-Spanish], Altretamine Bellon Brand, Altretamine Chiesi Brand, Altretamine (USP/INN), Prestwick0_000946, Prestwick1_000946, Prestwick2_000946, Prestwick3_000946, Spectrum2_000907

Molecular Formula: C9H18N6Molecular Weight: 210.279420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: UUVWYPNAQBNQJQ-UHFFFAOYSA-N

• Ambroxol
IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol | CAS Registry Number: 18683-91-5
Synonyms: ambroxol, Ambroxocompren, Ambrohexal, Ambrolitic, Bronchopront, Bronchowern, Dinobroxol, Farmabroxol, Mucosolvan, Mucotablin, Sekretovit, Abrohexal, Ambrobeta, Ambrofur, Ambroten, Ambroxin, Duramucal, Expeflen, Flavamed, Frenopect

Molecular Formula: C13H18Br2N2OMolecular Weight: 378.102820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: JBDGDEWWOUBZPM-UHFFFAOYSA-N

• Ambroxol hydrochloride
IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol hydrochloride | CAS Registry Number: 23828-92-4
Synonyms: Mucosolvan, Mucoangin, Hustless, Lasolvan, Lazolvan, Mucolear, Ponophen, Ambroxol lozenge, Mucosolvan-L, Mucosal-L, Hustless (TN), Prestwick_717, NA 872 hydrochloride, Ambroxol hydrochloride (JAN), MLS001333105, MLS001333106, MLS002153788, A9797_SIGMA, SPECTRUM1503080, EINECS 245-899-2

Molecular Formula: C13H19Br2ClN2OMolecular Weight: 414.563760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: QNVKOSLOVOTXKF-UHFFFAOYSA-N

• 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 Besylate
IUPAC Name: benzenesulfonic acid; 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 111470-99-6
Synonyms: Norvasc, Amlogard, Cardiorex, Cordarene, Monopina, Norlopin, Tensivask, Amdepin, Amdipin, Amlodin, Amlopin, Amlosyn, Antacal, Astudar, Myodura, Norvask, Amcard, Norvas, Pelmec, Terloc

Molecular Formula: C26H31ClN2O8SMolecular Weight: 567.050940 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: ZPBWCRDSRKPIDG-UHFFFAOYSA-N

• Amodiaquine dihydrochloride dihydrate
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, 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

• 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

• Antazoline
IUPAC Name: N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline | CAS Registry Number: 91-75-8
Synonyms: antazoline, Antihistal, Phenazolin, Phenazoline, Antastan, Antasten, Antazolin, Antistin, Antistine, Histostab, Imidamin, Imidamine, Azalone, Analergine, Antazolina, Antazolinum, Vasocon-A, Ben-A-hist, Antazolinum [Latin], Antazolina [Spanish]

Molecular Formula: C17H19N3Molecular Weight: 265.352860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: REYFJDPCWQRWAA-UHFFFAOYSA-N

• Apramycin sulfate
IUPAC Name: (2R,3R,4S,5S,6S)-2-[[(3R,4aS,6R,7S,8R,8aR)-3-amino-2-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-8-hydroxy-7-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol | CAS Registry Number: 65710-07-8
Synonyms: apramycin, Ambylan, Apralan, Nebramycin II, Nebramycin factor 2, Apramycine [INN-French], Apramycinum [INN-Latin], Apramicina [INN-Spanish], Apramycin [USAN:BAN:INN], EINECS 253-460-1, EL 857, AIDS166733, AIDS-166733, C21H41N5O11, CID71428, EL-857/820, LS-146918, D-Streptamine, O-4-amino-4-deoxy-alpha-D-glucopyranosyl-(1-8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octadialdo-1,5:8,4-dipyranosyl-(1-4)-2-deoxy-, 37321-09-8, 4-O-((8R)-2-Amino-8-O-(4-amino-4-deoxy-alpha-D-glucopyranosyl)-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octodialdo-1,5:8,4-dipyranos-1-yl)-2-deoxy-D-streptamine

Molecular Formula: C21H41N5O11Molecular Weight: 539.577140 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 16

InChIKey: XZNUGFQTQHRASN-XZEBHBPDSA-N

• Arbidol
IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate | CAS Registry Number: 131707-25-0
Synonyms: ChemDiv1_000732, Oprea1_384852, Oprea1_482224, MLS000777586, AIDS346666, AIDS-346666, CID131411, STK021887, SMR000413980, TL80090957, A1957/0082320, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, 5674-91-9, 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester, 6-Bromo-5-hydroxy-4-methylaminomethyl-1-methyl-2-benzenesulfenylmethylindole-3-ethyl carboxylate, ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

Molecular Formula: C22H25BrN2O3SMolecular Weight: 477.414500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KCFYEAOKVJSACF-UHFFFAOYSA-N

• Artemether
Synonyms: Coartem, beta-Artemether, Artemetheri, Artmether, Paluther, Qinghaosu, Artemos, Artenam, Mixture Name, Artemether [INN], Methyl-dihydroartemisinine, Artemetero [INN-Spanish], Artemetherum [INN-Latin], Artemisininelactol methyl ether, Dihydroartemisinin methyl ether, Dihydroquinghaosu methyl ether, MLS001424249, beta-Dihydroartemisinin methyl ether, HSDB 7456, SM 224

Molecular Formula: C16H26O5Molecular Weight: 298.374640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-N

• Artesunate
Synonyms: Plasmotrin, Qinghaozhi, Arsumax, Artesunic acid, Artesunate ON, Sodium artesunate, Artesunate [INN], Succinyl dihydroartemisinin, Ambap1073, Artesunate (superseded RN), Artesunatum [INN-Latin], Artesunato [INN-Spanish], Dihydroqinghasu hemsuccinate, Quinghaosu reduced succinate ester, SM 804, Dihydroartemisinine-12-alpha-succinate, C19H28O8, LS-177760, LS-187735, WR 256283

Molecular Formula: C19H28O8Molecular Weight: 384.420820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: FIHJKUPKCHIPAT-JQXDXKTESA-N

• Aspirin
IUPAC Name: 2-acetyloxybenzoic acid | CAS Registry Number: 50-78-2
Synonyms: aspirin, Acylpyrin, Colfarit, Ecotrin, Acetylsalicylate, Enterosarein, Acenterine, Polopiryna, Micristin, Acetosal, Easprin, ACETYLSALICYLIC ACID, Acetosalic acid, Enterosarine, Acetophen, Acetosalin, Acetylsal, Aspirdrops, Bialpirina, Clariprin

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

InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

• Astaxanthin
IUPAC Name: 6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one | CAS Registry Number: 472-61-7
Synonyms: Astaxanthine, Ovoester, Spectrum5_000658, Astaxanthin, (3S,3'S)-, CCRIS 7118, BSPBio_002736, MLS001332555, MLS001332556, MLS002153390, A9335_SIGMA, SPECTRUM1502235, NSC635689, EINECS 207-451-4, HSDB 7468, AIDS135636, NSC 635689, AIDS-135636, C40H52O4, Astaxanthin, all-trans-, (3S,3'S)-, 3,3'-Dihydroxy-beta-carotene-4,4'-dione

Molecular Formula: C40H52O4Molecular Weight: 596.838480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MQZIGYBFDRPAKN-QISQUURKSA-N

• Atenolol
IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide | CAS Registry Number: 29122-68-7
Synonyms: atenolol, Tenormin, Tenormine, Blokium, duratenol, Duraatenolol, Antipressan, Blocotenol, Cardiopress, Internolol, Prenormine, Servitenol, Vericordin, Atcardil, Atehexal, Atenblock, Atenolin, Atenomel, Betablok, Betacard

Molecular Formula: C14H22N2O3Molecular Weight: 266.336080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N

• Azobenzene
IUPAC Name: di(phenyl)diazene | CAS Registry Number: 103-33-3
Synonyms: azobenzene, Azobisbenzene, Diphenyldiazene, Diphenyldiimide, Diazobenzene, Azobenzide, Azobenzol, Benzofume, Azofume, Diazene, diphenyl-, Benzeneazobenzene, Azodibenzene, Benzene, azodi, cis-Azobenzene, Azodibenzeneazofume, Benzene, azobis-, Azobenzeen, :azobenzene, diphenyl diimide, (E)-Diphenyldiazene

Molecular Formula: C12H10N2Molecular Weight: 182.221200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DMLAVOWQYNRWNQ-UHFFFAOYSA-N

• Bambuterol hydrochloride
IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate hydrochloride | CAS Registry Number: 81732-46-9
Synonyms: Bambec, Prestwick_777, Bambec (TN), Bambuterol hydrocloride, Ambap2708, BAMBUTEROL HYDROCHLORIDE, MLS002153784, SPECTRUM1505173, NCGC00096057-01, SMR001233167, D07489, Carbamic acid, dimethyl-, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-1,3-phenylene ester, monohydrochloride

Molecular Formula: C18H30ClN3O5Molecular Weight: 403.900900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: LBARATORRVNNQM-UHFFFAOYSA-N

• Bendazol
IUPAC Name: 2-(phenylmethyl)-1H-benzimidazole | CAS Registry Number: 621-72-7
Synonyms: Dibazol, Bendazole, Tromasedan, Dibazole, Dibasol, 2-Benzylbenzimidazole, Bendazolo [DCIT], 2-Benzylbenziminazole, Bendazol (INN), Dibazol (TN), Bendazolum [INN-Latin], Bendazol [DCF:INN], Bendazol [INN:DCF], Enamine_004617, 2-Benzyl-1H-benzoimidazole, 2-Benzyl-1H-benzimidazole, BENZIMIDAZOLE, 2-BENZYL-, Oprea1_667015, Oprea1_810669, MLS001212883

Molecular Formula: C14H12N2Molecular Weight: 208.258480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YTLQFZVCLXFFRK-UHFFFAOYSA-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

• Benzyl 2-naphthyl ether
IUPAC Name: 2-(phenylmethoxy)naphthalene | CAS Registry Number: 613-62-7
Synonyms: 2-phenylmethoxy-naphthalene, Naphthalene, 2-(phenylmethoxy)-, ZINC00968696, AI3-00945, ST5407267, TL8003890, AE-641/04259009

Molecular Formula: C17H14OMolecular Weight: 234.292460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WLTCCDHHWYAMCG-UHFFFAOYSA-N

• Betahistine mesylate
IUPAC Name: methanesulfonic acid; N-methyl-2-pyridin-2-ylethanamine | CAS Registry Number: 54856-23-4
Synonyms: Meginalisk, Merislon, Riptonin, Extovyl, Melopat, Suzutolon, Betahistine mesilate, Suzutolon (TN), Betahistine mesilate (JP15), C8H12N2.2CH4O3S, EINECS 259-377-7, LS-131556, 2-Pyridineethanamine, N-methyl-, dimethanesulfonate, D01592, 2-(Ethylammonio)-N-methylpyridinium dimethanesulphonate, 5638-76-6

Molecular Formula: C10H20N2O6S2Molecular Weight: 328.405600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: ZBJJDYGJCNTNTH-UHFFFAOYSA-N

• Betaxolol
IUPAC Name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol | CAS Registry Number: 63659-18-7
Synonyms: betaxolol, Betazolol, Betoptic, Kerlone, Betaxolol HCL, Betaxolol (TN), Betaxolol (INN), Betaxololum [INN-Latin], Betaxolol hydrochloride, Betaxolol [INN:BAN], Prestwick0_000382, Prestwick1_000382, Prestwick2_000382, Prestwick3_000382, Lopac0_000193, BSPBio_000563, SPBio_002484, BPBio1_000621, C18H29NO3, CID2369

Molecular Formula: C18H29NO3Molecular Weight: 307.427760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NWIUTZDMDHAVTP-UHFFFAOYSA-N

• Bicalutamide
IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90357-06-5
Synonyms: bicalutamide, Casodex, (R)-Bicalutamide, R-BICALUTAMIDE, Bicalutamide [USAN:BAN:INN], CHEBI:3090, STOCK6S-47735, 1z95, CID56069, DB01128, DB02932, ICI 176334, BRN 5364666, NCGC00167487-01, (2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE, (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide, (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide, Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-

Molecular Formula: C18H14F4N2O4SMolecular Weight: 430.373373 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Bifendate
IUPAC Name: methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate | CAS Registry Number: 73536-69-3
Synonyms: alpha-diphenyldicarboxylate, CCRIS 7767, biphenyl dimethyl-dicarboxylate, diphenyl dimethyl dicarboxylate, AIDS057851, AIDS-057851, BRN 5461320, C20H18O10, CID108213, LS-43561, Dimethyl 7,7'-dimethoxy-(4,4'-Bi-1,3-benzodioxole)-5,5'-dicarboxylate, (4,4'-Bi-1,3-benzodioxole)-5,5'-dicarboxylic acid, 7,7'-dimethoxy-, dimethyl ester, 7,7'-Dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester, Dimethyl 4,4'-dimethoxy-5,6,5',6'-bis(methylenedioxy)biphenyl-2,2'-dicarboxylate, Dimethyl-4,4'-dimethoxyl-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate, 2,2'-Dimethoxycarbonyl-4,4'-dimethoxy-5,6,5',6'-bismethylenedioxybiphenyl, dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate, BDD, DDB

Molecular Formula: C20H18O10Molecular Weight: 418.350920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: JMZOMFYRADAWOG-UHFFFAOYSA-N

• Bifonazole
IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]imidazole | CAS Registry Number: 60628-96-8
Synonyms: bifonazole, Mycospor, Trifonazole, Bifonazol, Amycor, Azolmen, Bifokey, Bifomyk, Moldina, Bifon, Mycospor (TN), Bifonazol [INN-Spanish], Bifonazolum [INN-Latin], BAY H 4502, Canesten Extra Bifonazol, Bayer brand of bifonazole, Spectrum2_000035, Spectrum3_001970, Bay H-4502, Bioglan brand of bifonazole

Molecular Formula: C22H18N2Molecular Weight: 310.391720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OCAPBUJLXMYKEJ-UHFFFAOYSA-N

• Biotin
IUPAC Name: 5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid | CAS Registry Number: 58-85-5
Synonyms: biotin, d-biotin, coenzyme R, vitamin H, Bioepiderm, Vitamin B7, Biodermatin, Medebiotin, Injacom H, Meribin, Factor S, beta-Biotin, Vitamin Bw, Bios II, 1avd, 1ndj, 1stp, 1swg, 1swk, 1swn

Molecular Formula: C10H16N2O3SMolecular Weight: 244.310640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N

• Bisoprolol hemifumarate
IUPAC Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol | CAS Registry Number: 104344-23-2
Synonyms: Zebeta, Bisobloc, Bisomerck, Maintate, Euradal, Fondril, Monocor, Concor, Soprol, Emcor, Godal, Bisoprolol fumarate, Biso-Puren, Concor Plus Forte, Zebeta (TN), Bisoprolol hemifumarate salt, B2185_SIGMA, Bisoprolol fumarate (JAN/USP), Bisoprolol fumarate [USAN:JAN], EMD 33512

Molecular Formula: C40H66N2O12Molecular Weight: 766.958240 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 14

InChIKey: VMDFASMUILANOL-WXXKFALUSA-N

• Bleomycin Sulfate
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium | CAS Registry Number: 9041-93-4
Synonyms: bleomycin, Bleomycins, Bleomicin, Bleocin, bleomycin a2, bleomycin B2, Bleomycin A(2), Bleomycin B(2), Bleomycine [INN-French], Bleomycinum [INN-Latin], Bleomicina [INN-Spanish], CCRIS 2754, HSDB 3208, NSC 125066, C55H85N17O21S3, LMPK03000007, LS-524, NDC 0015-3010, 11056-06-7, 1400-95-9

Molecular Formula: C55H84N17O21S3+Molecular Weight: 1415.551760 [g/mol]
H-Bond Donor: 20H-Bond Acceptor: 30

InChIKey: OYVAGSVQBOHSSS-WXFSZRTFSA-O

• Boc-L-Ala-Nitrile Or (s)-Tert-Butyl1-Cyanoethylcarbamate
IUPAC Name: tert-butyl N-[(1S)-1-cyanoethyl]carbamate | CAS Registry Number: 130013-83-1
Synonyms: (S)-TERT-BUTYL 1-CYANOETHYLCARBAMATE, AC1LCW9E, AKOS006277793, (S)-tert-Butyl (1-cyanoethyl)carbamate, AK-57290, tert-butyl N-[(1S)-1-cyanoethyl]carbamate, B-1728

Molecular Formula: C8H14N2O2Molecular Weight: 170.208960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RPKPFOKNXKRFTD-LURJTMIESA-N

• Boxylic Acid Ethyl Ester
IUPAC Name: ethyl 5-chloroimidazo[1,2-a]pyridine-3-carboxylate | CAS Registry Number: 885271-51-2
Synonyms: ethyl 5-chloroimidazo[1,2-a]pyridine-3-carboxylate, CTK5G0221, AKOS016013181, AG-H-56952, AK-26745, EN000199, KB-245755, WT-131287, 5-chloro-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester, Imidazo[1,2-a]pyridine-3-carboxylicacid, 5-chloro-, ethyl ester

Molecular Formula: C10H9ClN2O2Molecular Weight: 224.643660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GIGAHGCKVFWBNI-UHFFFAOYSA-N

• Bromhexine hydrochloride
IUPAC Name: 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline hydrochloride | CAS Registry Number: 611-75-6
Synonyms: Bisolvon, Bisolvon (TN), SPECTRUM1503107, SBB001448, Bromhexine hydrochloride (JP15/USAN), NCGC00095005-01, NCGC00095005-02, D01778

Molecular Formula: C14H21Br2ClN2Molecular Weight: 412.590940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: UCDKONUHZNTQPY-UHFFFAOYSA-N

• BroMhexine IMpurity B
IUPAC Name: 2-amino-3,5-dibromobenzaldehyde | CAS Registry Number: 50910-55-9
Synonyms: 2-Amino-3,5-dibromobenzaldehyde, 463469_ALDRICH, 2-amino-3,5-dibromo-benzaldehyde, EINECS 256-841-0, ZINC00057067, ST5307760, TL8003379, InChI=1/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H

Molecular Formula: C7H5Br2NOMolecular Weight: 278.928700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RCPAZWISSAVDEA-UHFFFAOYSA-N

• Buflomedil hydrochloride
IUPAC Name: 4-pyrrolidin-1-ium-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one chloride | CAS Registry Number: 35543-24-9
Synonyms: Fonzylane, Bufedil, Irrodan, Buflan, Lofton, Loftyl, Botamiral, Botamiral (TN), C17H25NO4.HCl, EINECS 252-611-9, LL 1656, LS-46879, A-48257, D07548, 1-(3-(2,4,6-Trimethoxybenzoyl)propyl)pyrrolidinium chloride, 4-(1-Pyrrolidyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone hydrochloride, 4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone hydrochloride, 1-BUTANONE, 4-(1-PYRROLIDINYL)-1-(2,4,6-TRIMETHOXYPHENYL)-, HYDROCHLORIDE, Chlorhydrate de (trimethoxy-2-4-6) phenyl-(pyrrolidine-3) propylacetone [French], 55837-25-7

Molecular Formula: C17H26ClNO4Molecular Weight: 343.845640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZDPACSAHMZADFZ-UHFFFAOYSA-N

• Caffeic Acid
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 331-39-5
Synonyms: caffeic acid, trans-Caffeate, 3,4-Dihydroxycinnamic acid, trans-caffeic acid, Caffeic acid polymer, Cinnamic acid, 3,4-dihydroxy-, 3,4-Dihydroxy-trans-cinnamate, CCRIS 847, 3,4-Dihydroxybenzeneacrylic acid, 3,4-Dihydroxy-cinnamic acid, HSDB 7088, MLS000069738, MLS001076493, C0625_SIGMA, SPECTRUM1503987, ARONIS023304, C9H8O4, NSC57197, 3-(3,4-Dihydroxyphenyl)propenoic acid, 60018_FLUKA

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

• Caffeic Acid Phenethyl Ester
IUPAC Name: 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | CAS Registry Number: 104594-70-9
Synonyms: Phenethyl caffeate, Capeee, Caffeic acid phenethyl ester, CAPE, CAPE compound, Phenylethyl caffeate, Lopac0_000269, BSPBio_001560, BSPBio_003586, MLS000859889, C8221_SIGMA, SPECTRUM1502209, AIDS028600, AIDS-028600, ZINC00001083, Caffeic Acid Phenethyl Ester, Synthetic, IDI1_034030, QTL1_000016, NCGC00093727-01, NCGC00093727-02

Molecular Formula: C17H16O4Molecular Weight: 284.306540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SWUARLUWKZWEBQ-VQHVLOKHSA-N

• Calcium Magnesium Phytate
IUPAC Name: calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate | CAS Registry Number: 3615-82-5
Synonyms: Inositocalcium, Phytocalcium, Phytophosphine, Inophosphan, Forglesan, Phosbiose, Eviunis, Phytin, Fosforo de Angeli, Calcium-magnesium phytate, Phytic acid calcium magnesium salt, EINECS 222-798-1, LS-84063, myo-Inositol, hexakis(dihydrogen phosphate), calcium magnesium salt, INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM MAGNESIUM SALT, myo-, 16059-99-7

Molecular Formula: C6H6CaMgO24P6-8Molecular Weight: 712.323006 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 24

InChIKey: JWJNVODPOMYTLT-UHFFFAOYSA-B

• Candesartan Cilexetil
IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate | CAS Registry Number: 145040-37-5
Synonyms: Atacand, Candesartan cilexetil, Blopress, Parapres, Kenzen, Amias, Ratacand, Candesartan hexetil, Atacand (TN), Candesartan celexetil, ATACAND HCT, Blopress 16 mg Plus, Spectrum_001707, Spectrum2_000485, Spectrum3_000996, Spectrum4_001124, Spectrum5_001462, TCV-116, Candesartan cilexetil [USAN], TCV 116

Molecular Formula: C33H34N6O6Molecular Weight: 610.659660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 12

InChIKey: GHOSNRCGJFBJIB-UHFFFAOYSA-N

• Captopril
IUPAC Name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 62571-86-2
Synonyms: captopril, Captopryl, Capoten, L-Captopril, Cesplon, Acepress, Alopresin, Capozide, Captolane, Captoril, Garranil, Hypertil, Tenosbon, Tensoprel, Acediur, Aceplus, Acepril, Dilabar, Lopril, Isopresol

Molecular Formula: C9H15NO3SMolecular Weight: 217.285300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

• Carbamazepine
IUPAC Name: benzo[b][1]benzazepine-11-carboxamide | CAS Registry Number: 298-46-4
Synonyms: carbamazepine, Tegretol, Carbamazepen, Carbamezepine, Carbazepine, Finlepsin, Tegretal, Karbamazepin, Stazepine, Bipotrol, Neurotol, Equetro, Timonil, Biston, Epitol, Lexin, Amizepin, Carbatrol, Telesmin, Tegretol-Xr

Molecular Formula: C15H12N2OMolecular Weight: 236.268580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FFGPTBGBLSHEPO-UHFFFAOYSA-N

• Carbamic acid, N-[(1S)-1-cyano-2-phenylethyl]-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl N-[(1S)-1-cyano-2-phenylethyl]carbamate | CAS Registry Number: 99281-90-0
Synonyms: (S)-N-Boc-phenylalaninenitrile, (S)-tert-butyl 1-cyano-2-phenylethylcarbamate, (S)-tert-Butyl (1-cyano-2-phenylethyl)carbamate, AC1MBSNF, PubChem17453, SureCN2329798, MolPort-003-725-495, ANW-73952, AKOS005146161, AKOS015841513, AC-7666, AG-I-01321, AK106275, A11319, I14-11443, tert-butyl N-[(1S)-1-cyano-2-phenylethyl]carbamate

Molecular Formula: C14H18N2O2Molecular Weight: 246.304920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PMCZSKSPRUQIOF-LBPRGKRZSA-N

• Carbazochrome
IUPAC Name: [(3-hydroxy-1-methyl-6-oxo-2,3-dihydroindol-5-ylidene)amino]urea | CAS Registry Number: 69-81-8
Synonyms: carbazochrome, Adrenostazin, Carbazochrom, Cromadrenal, Sangostasin, Sangostazin, Adrenoxyl, Adedolon, Adrokson, Cartabes, Adchnon, Adrezon, Adroxon, Adrenostan, Adrenoxil, Cromosil, Cromoxin, Apara, Adrenochrome semicarbazone, Adenocrome monosemicarbazone

Molecular Formula: C10H12N4O3Molecular Weight: 236.227280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: XSXCZNVKFKNLPR-SDQBBNPISA-N

• Carbocisteine
IUPAC Name: 2-amino-3-(carboxymethylsulfanyl)propanoic acid | CAS Registry Number: 2387-59-9
Synonyms: carbocysteine, Broncodeterge, Transbronchin, Lisomucil, Rhinathiol, Fluifort, Loviscol, Muciclar, Mucodyne, Reomucil, Rinatiol, Thiodril, Mucocis, Mucofan, Bronchokod, Mucojet sirup, Mucolex sirup, Superthiol sirup, Carbocysteinum, Carbocystein

Molecular Formula: C5H9NO4SMolecular Weight: 179.194260 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: GBFLZEXEOZUWRN-UHFFFAOYSA-N


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