Zhejiang Hengdian Imp. & Exp. Co., Ltd.

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Profile: Zhejiang Hengdian Imp. & Exp. Co., Ltd. specializes in providing side chain intermediates, special chemicals, APIs and herbal extracts. Ethyl(Z)-2-(2-aminothiazole-4 -yl)-2-methoxyimion acetate is used as a side chain of ceftriaxone an cefotaxime. (Z)-2-(2-aminothiazole-4-yl)- 2-methoxyimino acetic acid is used as a side chain of cefotaxime, ceftriaxone, cefepime, ceftiofur & cefteram. Triphosgene is a special chemical which is used as a substitute reagent for phosgene. 1,1'-Carbonyldiimidazole is used as a condensing reagent in organic synthesis.

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• 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:	C₁₂H₁₅N₃O₂S	Molecular Weight:	265.331400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-N

• Aniprime

IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 2135-17-3
Synonyms: flumethasone, Flumetasone, Flucorticin, Flumethason, Cortexilar, Anaprime, Methagon, Flucort, Fluvet, Flumethasonum, Fluorodexamethasone, Flucort (Veterinary), Prestwick_229, Flumetasone (INN), 6alpha-Fluorodexamethasone, Flumethasone (USAN), Flumetasonum [INN-Latin], Flumethasone [USAN:BAN], 6-alpha-Fluorodexamethasone, Flumetasona [INN-Spanish]

Molecular Formula:	C₂₂H₂₈F₂O₅	Molecular Weight:	410.451526 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: WXURHACBFYSXBI-GQKYHHCASA-N

• 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:	C₇₀H₁₀₉N₄O₃₅P	Molecular Weight:	1597.594021 [g/mol]
H-Bond Donor:	18	H-Bond Acceptor:	35

InChIKey: FUIOWSNNCWZETH-NAMXWVJMSA-N

• Benzene Carbonic Acid

IUPAC Name: benzoic acid | CAS Registry Number: 65-85-0
Synonyms: benzoic acid, phenylformic acid, benzoate, Dracylic acid, benzenecarboxylic acid, Carboxybenzene, Benzeneformic acid, Retardex, Benzoesaeure GK, Benzoesaeure GV, Retarder BA, Tenn-Plas, Salvo liquid, Solvo powder, Acide benzoique, Unisept BZA, Benzenemethanoic acid, Phenylcarboxylic acid, Flowers of benzoin, Benzoesaeure

Molecular Formula:	C₇H₆O₂	Molecular Weight:	122.121340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N

• Betamethasone

IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 378-44-9
Synonyms: betamethasone, Rinderon, Celestone, Betadexamethasone, Betafluorene, Betamamallet, Betamethazone, Flubenisolone, Betacorlan, Betacortril, Betapredol, Betasolon, Betnelan, Betsolan, Celestene, Hormezon, Methazon, Valisone, Visubeta, Bedifos

Molecular Formula:	C₂₂H₂₉FO₅	Molecular Weight:	392.461063 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UREBDLICKHMUKA-DVTGEIKXSA-N

• Betamethasone Dipropionate

IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 5593-20-4
Synonyms: Diprolene, Alphatrex, Diproderm, Diprosis, Diprosone, Lotrisone, Maxivate, Psorion, Beloderm, Rinderon DP, Mixture Name, Diprolene AF, Rinderon-DP, Diprolene (TN), Betasone (Veterinary), Rinderon-DP (TN), nchembio747-comp12, BETAMETHASONE DIPROPIONATE, betamethasone propionate, Betamethasone 17,21-dipropionate

Molecular Formula:	C₂₈H₃₇FO₇	Molecular Weight:	504.587583 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: CIWBQSYVNNPZIQ-XYWKZLDCSA-N

• Bupropion

IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | CAS Registry Number: 34841-39-9
Synonyms: bupropion, Amfebutamone, Amfebutamon, amfebutamonum, Amfebutamona, Wellbatrin, Bupropion Hcl, (+-)-Bupropion, Bupropion (INN), AMFEBUTAMONE HCl, Bupropion (USAN), Bupropion (Old RN), Bupropion hydrochloride, Spectrum_001663, Bupropion [INN:BAN], SpecPlus_000954, Amfebutamonum [INN-Latin], Amfebutamona [INN-Spanish], Prestwick0_000249, Prestwick1_000249

Molecular Formula:	C₁₃H₁₈ClNO	Molecular Weight:	239.741120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SNPPWIUOZRMYNY-UHFFFAOYSA-N

• Calcium Folinate

IUPAC Name: calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate | CAS Registry Number: 1492-18-8
Synonyms: Wellcovorin, calcium folinate, Lederfoline, Calcium leucovorin, Uzel, LEUCOVORIN CALCIUM, Folinate-SF Calcium, Wellcovorin (TN), Prestwick_224, Folinic acid calcium salt, Leucovorin calcium salt, Calcium citrovorum factor, Uzel (TN), Leucovorin Calcium [USAN], Calcii folinas [INN-Latin], Leucovorin calcium (USP), Calcium folinate (JP15), Folinic acid-SF, calcium salt, Calcium 5-formyltetrahydrofolate, Folinato calcico [INN-Spanish]

Molecular Formula:	C₂₀H₂₁CaN₇O₇	Molecular Weight:	511.501440 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

• Chloramphenicol

IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide | CAS Registry Number: 56-75-7
Synonyms: chloramphenicol, Chloromycetin, Levomicetina, Levomycetin, Chlornitromycin, Chloramficin, Chloramfilin, Chloronitrin, Ciplamycetin, Detreomycine, Dextromycetin, Enteromycetin, Intramycetin, Levomitsetin, Mediamycetine, Micochlorine, Amphenicol, Aquamycetin, Biophenicol, Chemicetin

Molecular Formula:	C₁₁H₁₂Cl₂N₂O₅	Molecular Weight:	323.129380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: WIIZWVCIJKGZOK-RKDXNWHRSA-N

• Cimetidine

IUPAC Name: (5-methyl-1H-imidazol-4-yl)methanol hydrochloride | CAS Registry Number: 38585-62-5
Synonyms: 227420_ALDRICH, EINECS 254-021-7, 4-Methylimidazol-5-ylmethanolhydrochloride, 4-Methyl-5-imidazolemethanol hydrochloride, T5614881

Molecular Formula:	C₅H₉ClN₂O	Molecular Weight:	148.590760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: UBHDUFNPQJWPRQ-UHFFFAOYSA-N

• Cimetidine A

IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine | CAS Registry Number: 51481-61-9
Synonyms: cimetidine, Tagamet, Cimetag, Cimetidina, Cimetidinum, Eureceptor, Gastrobitan, Ulcomedina, Acibilin, Dyspamet, Gastromet, Metracin, Ulcedine, Ulcerfen, Ulcestop, Valmagen, Cimetum, Edalene, Tametin, Ulcedin

Molecular Formula:	C₁₀H₁₆N₆S	Molecular Weight:	252.339240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N

• Ciprofloxacin Hydrochloride

IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrate hydrochloride | CAS Registry Number: 86393-32-0
Synonyms: Ciloxan, Oftacilox, Ceprimax, Cipro, Ciprocinal, Floxacipron, Belmacina, Ciflosin, Ciprofur, Ciproktan, Cipronex, Cipropol, Disfabac, Felixene, Flociprin, Keefloxin, Megaflox, Microgan, Novoquin, Ophaflox

Molecular Formula:	C₁₇H₂₁ClFN₃O₄	Molecular Weight:	385.817743 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: ARPUHYJMCVWYCZ-UHFFFAOYSA-N

• Cyclohexanone

IUPAC Name: cyclohexanone | CAS Registry Number: 108-94-1
Synonyms: CYCLOHEXANONE, Sextone, Nadone, Anone, Anon, Pimelic ketone, Ketohexamethylene, Hexanon, Cyclohexyl ketone, Pimelin ketone, Hytrol O, ketocyclohexane, oxocyclohexane, Cykloheksanon, Cicloesanone, Cyclohexanon, Hytrolo, Cyclic ketone, Cyclohexanon [Dutch], Caswell No. 270

Molecular Formula:	C₆H₁₀O	Molecular Weight:	98.143000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N

• Cyclopentanone

IUPAC Name: cyclopentanone | CAS Registry Number: 120-92-3
Synonyms: CYCLOPENTANONE, Adipic ketone, Ketocyclopentane, Adipinketon, Dumasin, Ketopentamethylene, WLN: L5VTJ, HSDB 2822, W391018_ALDRICH, NSC 4122, 08299_FLUKA, 29770_FLUKA, CHEBI:16486, EINECS 204-435-9, NSC4122, C112402_SIAL, UN2245, AIDS017583, AIDS-017583, ZINC00895304

Molecular Formula:	C₅H₈O	Molecular Weight:	84.116420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BGTOWKSIORTVQH-UHFFFAOYSA-N

• D(-) Alpha Phenylglycine

IUPAC Name: (2R)-2-amino-2-phenylacetic acid | CAS Registry Number: 875-74-1
Synonyms: Phenylglycine, D-2-Phenylglycine, D-PHENYLGLYCINE, Maybridge1_004326, D-(-)-alpha-Phenylglycine, P25485_ALDRICH, 78570_FLUKA, EINECS 212-876-3, D-(−)-alpha-Phenylglycine, JFD 03710, (R)-(−)-2-Phenylglycine, R(−)-alpha-Aminophenylacetic acid, Benzeneacetic acid, alpha-amino-, (alphaR)-, D−(−)-alpha-Phenylglycine, (R)-(−)-alpha-Aminophenylacetic acid, PG9, PGY

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZGUNAGUHMKGQNY-SSDOTTSWSA-N

• D-2-Phenylglycine (CAS: 2206-67-6)

• Diclazuril

IUPAC Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile | CAS Registry Number: 101831-37-2
Synonyms: DICLAZURIL, Diclazuril (USAN/INN), 34057_RIEDEL, AIDS008313, AIDS-008313, CID456389, NCGC00168785-01, D03794, 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5- dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile, 2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrile

Molecular Formula:	C₁₇H₉Cl₃N₄O₂	Molecular Weight:	407.637960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZSZFUDFOPOMEET-UHFFFAOYSA-N

• Dimethyl Aminoethanol (DMAE)

IUPAC Name: 2-(dimethylamino)ethanol | CAS Registry Number: 108-01-0
Synonyms: Deanol, Norcholine, Bimanol, Liparon, Varesal, Dimethylethanolamine, Propamine A, Kalpur P, Dimethylaminoethanol, Tonibral, Demanol, Demanyl, Texacat DME, Amietol M 21, DMAE, N,N-Dimethylethanolamine, Dimethylmonoethanolamine, 2-(Dimethylamino)ethanol, N-Dimethylaminoethanol, N,N-Dimethylaminoethanol

Molecular Formula:	C₄H₁₁NO	Molecular Weight:	89.136240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UEEJHVSXFDXPFK-UHFFFAOYSA-N

• Florfenicol

IUPAC Name: 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide | CAS Registry Number: 76639-94-6
Synonyms: Nuflor, florphenicol, (-)-Florfenicol, Nuflor (TN), 3-fluorothiamphenicol, thiamphenicol, 3-fluoro, Prestwick0_000955, Prestwick1_000955, Prestwick2_000955, Prestwick3_000955, Florfenicol (USAN/INN), Sch-25298, C12H14Cl2FNO4S, Sch 25298, BSPBio_000950, MLS002154071, SPBio_003099, Florfenicol [USAN:INN:BAN], BPBio1_001046, CID114811

Molecular Formula:	C₁₂H₁₄Cl₂FNO₄S	Molecular Weight:	358.213263 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: AYIRNRDRBQJXIF-NXEZZACHSA-N

• Fluconazole

IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol | CAS Registry Number: 86386-73-4
Synonyms: fluconazole, Triflucan, Diflucan, Biozolene, Elazor, Biocanol, Fungata, Zonal, Alflucoz, Flucazol, Flukezol, Flunizol, Oxifugol, Pritenzol, Afungil, Cryptal, Dimycon, Fluzone, Canzol, Forcan

Molecular Formula:	C₁₃H₁₂F₂N₆O	Molecular Weight:	306.270786 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: RFHAOTPXVQNOHP-UHFFFAOYSA-N

• Fluoxetine

IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | CAS Registry Number: 54910-89-3
Synonyms: fluoxetine, Pulvules, Portal, Eufor, Prozac, Animex-On, Floxetine, Fluoxetin, Deprex, Fluval, Fluoxetine Hcl, Fluoxetina [Spanish], Fluoxetine (TN), fluoxetine (Prozac), Fluoxetinum [INN-Latin], Fluoxetina [INN-Spanish], (+/-)-Fluoxetine, Spectrum_001679, SpecPlus_000723, Fluoxetine (USAN/INN)

Molecular Formula:	C₁₇H₁₈F₃NO	Molecular Weight:	309.326130 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N

• Gliclazide

IUPAC Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea | CAS Registry Number: 21187-98-4
Synonyms: gliclazide, Glimicron, Diamicron, Nordialex, Glyclazide, Diaikron, Gliklazid, Glimicron (TN), Prestwick_869, Gliclazidum [INN-Latin], Gliclazida [INN-Spanish], Spectrum_001478, SpecPlus_000870, Gliclazide (JAN/INN), Prestwick0_000558, Prestwick1_000558, Prestwick2_000558, Prestwick3_000558, Spectrum3_001862, Spectrum4_000598

Molecular Formula:	C₁₅H₂₁N₃O₃S	Molecular Weight:	323.410540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: BOVGTQGAOIONJV-UHFFFAOYSA-N

• Iohexol

IUPAC Name: 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide | CAS Registry Number: 66108-95-0
Synonyms: iohexol, Omnipaque, Nycodenz, Exypaque, Histodenz, Omnipaque 240, Omnipaque (TN), Prestwick_802, Ambap698, Iohexolum [INN-Latin], Prestwick0_000512, Prestwick1_000512, Prestwick2_000512, Prestwick3_000512, Iohexol (JAN/USP/INN), BSPBio_000463, Iohexol [USAN:BAN:INN:JAN], MLS001332585, MLS001332586, MLS002153854

Molecular Formula:	C₁₉H₂₆I₃N₃O₉	Molecular Weight:	821.137850 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	9

InChIKey: NTHXOOBQLCIOLC-UHFFFAOYSA-N

• Irbesartan

IUPAC Name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one | CAS Registry Number: 138402-11-6
Synonyms: irbesartan, Avapro, Aprovel, Karvea, Avalide, Irbetan, Avapro (TN), Irbesartan [USAN:INN], Spectrum_001751, BMS Brand of Irbesartan, Spectrum2_001675, Spectrum3_000994, Spectrum4_001122, Spectrum5_001288, BSPBio_002687, KBioGR_001603, KBioSS_002231, MLS000759408, MLS001424099, BMS 186295

Molecular Formula:	C₂₅H₂₈N₆O	Molecular Weight:	428.529420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: YOSHYTLCDANDAN-UHFFFAOYSA-N

• Isopentaldehyde

IUPAC Name: 3-methylbutanal | CAS Registry Number: 590-86-3
Synonyms: 3-Methylbutanal, ISOVALERALDEHYDE, Isoamylaldehyde, Isovaleral, Isopentanal, Isovalerylaldehyde, Isoamyl aldehyde, 3-Methylbutyraldehyde, beta-Methylbutanal, Butanal, 3-methyl-, Isovaleric aldehyde, Butanal, methyl-, 2-Methylbutanal-4, 3-Methylbutylaldehyde, 3-Methyl-1-butanal, 1-Butanal, 3-methyl-, 3-Methyl butyraldehyde, beta-Methylbutyraldehyde, Butyraldehyde, 3-methyl-, .beta.-Methylbutanal

Molecular Formula:	C₅H₁₀O	Molecular Weight:	86.132300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YGHRJJRRZDOVPD-UHFFFAOYSA-N

• L-Tryptophan AJI97

IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CAS Registry Number: 73-22-3
Synonyms: L-tryptophan, tryptophan, trofan, tryptacin, Tryptophane, L-Tryptophane, Ardeytropin, Pacitron, Optimax, (S)-Tryptophan, Kalma, L-Tryptofan, Tryptan, Indole-3-alanine, L-Trp, Sedanoct, Lyphan, Tryptophan (VAN), 3-Indol-3-ylalanine, Tryptophan, L-

Molecular Formula:	C₁₁H₁₂N₂O₂	Molecular Weight:	204.225180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-N

• Lansoprazole

IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 103577-45-3
Synonyms: lansoprazole, Prevacid, Monolitum, Bamalite, Takepron, Agopton, Ogastro, Lanzor, Opiren, Zoton, Limpidex, Prezal, Ulpax, lanzoprazole, Lanproton, Lansopep, Lanzopral, Lasoprol, Mesactol, Prosogan

Molecular Formula:	C₁₆H₁₄F₃N₃O₂S	Molecular Weight:	369.361470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: MJIHNNLFOKEZEW-UHFFFAOYSA-N

• Levofloxacin

Synonyms: LEVOFLOXACIN, Levaquin, Iquix, Elequine, Cravit, Quixin, L-Ofloxacin, R-Ofloxacin, Floxacin, Oftaquix, Tavanic, d-Levofloxacin, (S)-Ofloxacin, (-)-Ofloxacin, Ofloxacin S-(-)-form, (R)-isomer, S-(-)-Ofloxacin, (S)-(-)-Ofloxacin, Ambap1065, Spectrum_001719

Molecular Formula:	C₁₈H₂₀FN₃O₄	Molecular Weight:	361.367503 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: GSDSWSVVBLHKDQ-JTQLQIEISA-N

• Lithium Tri-Sec-Butylborohydride

IUPAC Name: lithium; boron(3+); butane; hydride | CAS Registry Number: 38721-52-7
Synonyms: Lithium tri-sec-butylhydroborate, EINECS 254-101-1, CID170106, Borate(1-), hydrotris(1-methylpropyl)-, lithium, (T-4)-

Molecular Formula:	C₁₂H₂₈BLi	Molecular Weight:	190.102720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NUYXPUUFMRFXCC-UHFFFAOYSA-N

• Loxoprofen

IUPAC Name: 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid | CAS Registry Number: 68767-14-6
Synonyms: Koloxo, sodium loxoprofen, Loxoprofen [INN], Loxoprofene [French], Loxoprofenum [Latin], Loxoprofeno [Spanish], 2-OCPPP, Lopac0_000677, L0664_SIGMA, CID3965, C15H18O3, CS 600, CS-600, NCGC00094037-01, NCGC00094037-02, LS-176693, 156-S, EU-0100677, (+-)-p-((2-Oxocyclopentyl)methyl)hydratropic acid, 2-(4-((2-oxocyclopentyl)methyl)phenyl)propionic acid

Molecular Formula:	C₁₅H₁₈O₃	Molecular Weight:	246.301620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YMBXTVYHTMGZDW-UHFFFAOYSA-N

• Metoprolol

IUPAC Name: 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol | CAS Registry Number: 37350-58-6
Synonyms: metoprolol, Beatrolol, Lopresor, Presolol, Spesicor, Preblok, dl-Metoprolol, (RS)-Metoprolol, Lopressor, Spesikor, Betaloc, Betalok, Seloken, Beloc-Duriles, Betaloc-Astra, Metoprolol tartrate, Metoprolol succinate, Metoprololum [INN-Latin], Metoprolol (USAN/INN), CCRIS 4198

Molecular Formula:	C₁₅H₂₅NO₃	Molecular Weight:	267.363900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: IUBSYMUCCVWXPE-UHFFFAOYSA-N

• N N -Dimethylthiocarbamoyl Chloride

IUPAC Name: N,N-dimethylcarbamothioyl chloride | CAS Registry Number: 16420-13-6
Synonyms: sGXDLHaABS]MP@, Dimethylthiocarbamoyl chloride, Carbamothioic chloride, dimethyl-, Carbamoyl chloride, dimethylthio-, 135895_ALDRICH, CID27871, DIMETHYLCARBAMOTHIOIC CHLORIDE, EINECS 240-468-5, ZINC02018437, SB 01644, 42326-60-3

Molecular Formula:	C₃H₆ClNS	Molecular Weight:	123.604440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PHWISQNXPLXQRU-UHFFFAOYSA-N

• N-Caproic Acid (Hexanoic Acid)

IUPAC Name: hexanoic acid | CAS Registry Number: 142-62-1
Synonyms: Caproic acid, HEXANOIC ACID, n-Caproic acid, Capronic acid, Hexoic acid, n-Hexanoic acid, Butylacetic acid, Pentiformic acid, n-Hexylic acid, n-Hexoic acid, Pentylformic acid, 1-Hexanoic acid, Hexylic acid, Hexanoate, Hexacid 698, Pentanecarboxylic acid, 1-Pentanecarboxylic acid, Hexanoic acid (natural), Acid C-6, Ambap4406

Molecular Formula:	C₆H₁₂O₂	Molecular Weight:	116.158280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N

• Nabumetone

IUPAC Name: 4-(6-methoxynaphthalen-2-yl)butan-2-one | CAS Registry Number: 42924-53-8
Synonyms: nabumetone, Relafen, Listran, Relifex, Nabumetona, Arthaxan, Mebutan, Relifen, Relif, nabumeton, Consolan, Dolsinal, Flambate, Unimetone, Balmox, Prodac, Arthraxan, Nabucox, Nabuser, Apo-Nabumetone

Molecular Formula:	C₁₅H₁₆O₂	Molecular Weight:	228.286340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BLXXJMDCKKHMKV-UHFFFAOYSA-N

• Nizatidine

IUPAC Name: (E)-1-N-[2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N'-methyl-2-nitroethene-1,1-diamine | CAS Registry Number: 76963-41-2
Synonyms: nizatidine, Acinon, Axid, Zanizal, Nizax, Calmaxid, Cronizat, Distaxid, Galitidin, Naxidine, Antizid, Gastrax, Nizaxid, Panaxid, Ulcosol, Tazac, Ulxid, Zinga, Splendil ER, Axid Ar

Molecular Formula:	C₁₂H₂₁N₅O₂S₂	Molecular Weight:	331.457440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: SGXXNSQHWDMGGP-IZZDOVSWSA-N

• Ofloxacin

Synonyms: ofloxacin, Floxin, Ocuflox, Tarivid, Ofloxacine, Oflocet, Oxaldin, Visiren, Exocin, Exocine, Zanocin, Floxin otic, Ofloxacin Otic, Ofloxacina [DCIT], Ofloxacine [French], Ofloxacinum [Latin], DEXTROFLOXACINE, OFLX, Ofloxacino [Spanish], Floxin (TN)

Molecular Formula:	C₁₈H₂₀FN₃O₄	Molecular Weight:	361.367503 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N

• Omeprazole

IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 73590-58-6
Synonyms: omeprazole, Prilosec, Antra, Losec, Omeprazon, Audazol, Omapren, Omepral, Parizac, Mopral, Miol, Demeprazol, Inhibitron, Ulcometion, Belmazol, Ceprandal, Dizprazol, Dudencer, Emeproton, Epirazole

Molecular Formula:	C₁₇H₁₉N₃O₃S	Molecular Weight:	345.416060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: SUBDBMMJDZJVOS-UHFFFAOYSA-N

• Ortho Cresol

IUPAC Name: 2-methylphenol | CAS Registry Number: 95-48-7
Synonyms: o-cresol, o-methylphenol, 2-hydroxytoluene, 2-Methylphenol, o-Cresylic acid, o-Oxytoluene, Orthocresol, Phenol, 2-methyl-, o-Toluol, o-Hydroxytoluene, o-Methylphenylol, 2-Cresol, o-Kresol, ortho-cresol, Cresol, ortho-, Cresylic acid, Cresol, o-isomer, para-Cresol, Cresol, o-, Cresol, all isomers

Molecular Formula:	C₇H₈O	Molecular Weight:	108.137820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N

• Para Anisyl Alcohol

IUPAC Name: (4-methoxyphenyl)methanol | CAS Registry Number: 105-13-5
Synonyms: Anisyl alcohol, Anise alcohol, p-Anisyl alcohol, Anisic alcohol, p-Anisol alcohol, Anisalcohol, p-, Anis alcohol, JandaJel-Wang, Benzenemethanol, 4-methoxy-, p-Methoxybenzyl alcohol, Benzyl alcohol, p-methoxy-, 4-Methoxybenzenemethanol, 4-METHOXYBENZYL ALCOHOL, Anisyl alcohol (natural), (4-Methoxyphenyl)methanol, FEMA No. 2099, CCRIS 5111, WLN: Q1R DO1, W209902_ALDRICH, W209910_ALDRICH

Molecular Formula:	C₈H₁₀O₂	Molecular Weight:	138.163800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MSHFRERJPWKJFX-UHFFFAOYSA-N

• Para Chlorotoluene

IUPAC Name: 1-chloro-4-methylbenzene | CAS Registry Number: 106-43-4
Synonyms: 4-Chlorotoluene, p-Tolyl chloride, Toluene, p-chloro-, P-CHLOROTOLUENE, 1-Chloro-4-methylbenzene, Benzene, 1-chloro-4-methyl-, 1-Methyl-4-chlorobenzene, 4-Chloro-1-methylbenzene, p-Chlorophenyl bromide, 4-Chlorobenzyl radical, TOLUENE,4-CHLORO, CCRIS 6000, WLN: GR D1, HSDB 1343, 47798_SUPELCO, 111929_ALDRICH, 36697_RIEDEL, 26550_FLUKA, EINECS 203-397-0, CID7810

Molecular Formula:	C₇H₇Cl	Molecular Weight:	126.583480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: NPDACUSDTOMAMK-UHFFFAOYSA-N

• Paroxetine HCl

IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine | CAS Registry Number: 61869-08-7
Synonyms: paroxetine, Seroxat, Paxil, Paxil CR, Frosinor, Motivan, Paxetil, Aropax, Casbol, Paroxetine Hcl, PaxPar, [3H]Paroxetine, Paroxetine (TN), (-)-Paroxetine, Paroxetinum [INN-Latin], Paroxetina [INN-Spanish], Spectrum_001752, SpecPlus_000788, Paroxetine (USP/INN), Prestwick3_000851

Molecular Formula:	C₁₉H₂₀FNO₃	Molecular Weight:	329.365403 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N

• Pentafluorophenol

IUPAC Name: 2,3,4,5,6-pentafluorophenol | CAS Registry Number: 771-61-9
Synonyms: PENTAFLUOROPHENOL, Phenol, pentafluoro-, 2,3,4,5,6-Pentafluorophenol, Ambap5764, Potassium pentafluorophenolate, 103799_ALDRICH, 442745_SUPELCO, EINECS 212-235-8, NSC 21627, CID13041, NSC21627, Phenol, pentafluoro-, potassium salt, ZINC01583742, P110, LS-105036, TL8005301, 4615-85-4

Molecular Formula:	C₆HF₅O	Molecular Weight:	184.063556 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: XBNGYFFABRKICK-UHFFFAOYSA-N

• Pyridine

IUPAC Name: pyridine | CAS Registry Number: 110-86-1
Synonyms: Azabenzene, PYRIDINE, Azine, Piridina, Pirydyna, Pyridin, pyridine-ring, Pyridin [German], Pirydyna [Polish], Piridina [Italian], Caswell No. 717, Pyridine hydrochloride, FEMA Number 2966, RCRA waste no. U196, RCRA waste number U196, WLN: T6NJ, FEMA No. 2966, CCRIS 2926, HSDB 118, NCI-C55301

Molecular Formula:	C₅H₅N	Molecular Weight:	79.099900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N

• Rimantadine Hydrochloride

IUPAC Name: 1-(1-adamantyl)ethanamine hydrochloride | CAS Registry Number: 1501-84-4
Synonyms: Flumadine, Meradane, rimantadine, Rimantadine hydrochloride, Remantadine, Meradan, Oclovir, Roflual, Rimantadine HCL, Flumadine (TN), Remantadine hydrochloride, EXP 126, C12H21N.HCl, JP 61, 1-Adamantan-1-yl-ethylamine, MLS000069661, MLS000332981, Rimantadine hydrochloride [USAN], 390593_ALDRICH, EXP-126

Molecular Formula:	C₁₂H₂₂ClN	Molecular Weight:	215.762780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: OZBDFBJXRJWNAV-UHFFFAOYSA-N

• Sumatriptan

IUPAC Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide | CAS Registry Number: 103628-46-2
Synonyms: sumatriptan, Sumatran, Imitrex, Sumax, Imigran, Sumatriptanum, Imigran (TN), Imitrex (TN), Sumatriptanum [INN-Latin], SUMATRIPTAN SUCCINATE, BSPBio_002304, MLS001195659, MLS001304742, SPECTRUM1505372, Sumatriptan (JAN/USP/INN), CID5358, C14H21N3O2S, CHEBI:10650, GR 43175X, NP101

Molecular Formula:	C₁₄H₂₁N₃O₂S	Molecular Weight:	295.400440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N

• Telmisartan

IUPAC Name: 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid | CAS Registry Number: 144701-48-4
Synonyms: Micardis, Kinzalmono, Pritor, Micardis HCT, Micardis (TN), Telmisartan [INN], BIBR 277SE, BIBR 277, Spectrum2_001976, Spectrum3_001089, Spectrum4_001261, Spectrum5_001053, Telmisartan [USAN:INN], BIBR-277, BSPBio_002738, KBioGR_001842, MLS000759432, MLS001076687, BIBR-277-SE, SPECTRUM1505261

Molecular Formula:	C₃₃H₃₀N₄O₂	Molecular Weight:	514.616900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RMMXLENWKUUMAY-UHFFFAOYSA-N

• Tibolone

IUPAC Name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 5630-53-5
Synonyms: tibolone, Liviella, Boltin, Livial, Xyvion, Ambap1014, Org-OD14, Tibolone (JAN/USAN/INN), MLS001424234, CID444008, KB-889, CPD000469219, SAM001246801, SMR000469219, TL8003648, D01639, (7beta,8xi,9beta,13alpha,14beta,17alpha)-17-ethynyl-17-hydroxy-7-methylestr-5(10)-en-3-one

Molecular Formula:	C₂₁H₂₈O₂	Molecular Weight:	312.445820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WZDGZWOAQTVYBX-XOINTXKNSA-N

• Venlafaxine

IUPAC Name: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol | CAS Registry Number: 93413-69-5
Synonyms: venlafaxine, Elafax, VenlafaxineXR, Venlafaxine ER, Venlafaxine [INN:BAN], Venlafaxinum [INN-Latin], venlafaxine (Effexor), Venlafaxina [INN-Spanish], Spectrum_001671, SpecPlus_000842, Venlafaxine hydrochloride, Venlafaxine [BAN:INN], Spectrum2_000542, Spectrum3_000989, Spectrum4_001115, Spectrum5_001516, BSPBio_002657, KBioGR_001590, KBioSS_002151, DivK1c_006938

Molecular Formula:	C₁₇H₂₇NO₂	Molecular Weight:	277.401780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PNVNVHUZROJLTJ-UHFFFAOYSA-N

• 4-(2-Chloroethyl)-morpholine Hydrochloride

IUPAC Name: 4-(2-chloroethyl)morpholine hydrochloride | CAS Registry Number: 3647-69-6
Synonyms: Chloromorpholinoethane hydrochloride, C42203_ALDRICH, 2-Morpholinoethylchloride hydrochloride, N-(2-Chloroethyl)morpholine hydrochloride, (2-Chloroethyl)morpholine hydrochloride, 23051_FLUKA, 4-(2-Chloroethyl)morpholine hydrochloride, EINECS 222-881-2, NSC 10003, NSC 46824, WLN: T6N DOTJ A2G &GH, 4-(2-Chloroethyl)morpholinium chloride, NSC10003, NSC46824, Morpholine, (2-chloroethyl)-, hydrochloride, AI3-16221, Morpholine, 4-(2-chloroethyl)-, hydrochloride, 2-Morpholinoethyl chloride hydrochloride, N-(beta-Chloroethyl)morpholine-hydrochloride, LS-92595

Molecular Formula:	C₆H₁₃Cl₂NO	Molecular Weight:	186.079520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NBJHDLKSWUDGJG-UHFFFAOYSA-N

• 2-Cyanopyrazine

IUPAC Name: pyrazine-2-carbonitrile | CAS Registry Number: 19847-12-2
Synonyms: Cyanopyrazine, Pyrazinenitrile, Pyrazinonitrile, Pyrazinecarbonitrile, Pyrazine der., 2-Pyrazinecarbonitrile, Pyrazinecarbonitrile-, Pyrazine-2-carbonitrile, 2-CYANO PYRAZINE, NCIOpen2_000422, 349496_ALDRICH, CHEBI:3982, AIDS070605, AIDS-070605, CID73172, NSC72371, EINECS 243-369-5, NSC166137, ZINC00164542, NSC 166137

Molecular Formula:	C₅H₃N₃	Molecular Weight:	105.097420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PMSVVUSIPKHUMT-UHFFFAOYSA-N