Hallochem Group Co.,Ltd

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Profile: Hallochem Group Co.,Ltd. manufactures pharmaceutical intermediates for bio-chemicals, surfactants and special chemicals. We provide kallidinogenase, deoxyribonuclease, chymotrypsin, streptokinase, lysostaphin, trypsin, elastase, aprotinin and urokinase.

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• 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:	C₁₄H₂₂N₂O₃	Molecular Weight:	266.336080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N

• Atorvastatin

IUPAC Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid | CAS Registry Number: 134523-00-5
Synonyms: atorvastatin, Torvast, Tozalip, Xavator, Cardyl, Sotis, atrovastin, Lipitor, Sortis, Lipitor (TN), Sortis (TN), Atorvastatin (INN), Atorvastatin [INN:BAN], ATORVASTATIN CALCIUM, CCRIS 7159, HSDB 7039, Atorvastatin (R-(R*,R*)), C33H35FN2O5, CHEBI:39548, CI 981

Molecular Formula:	C₃₃H₃₅FN₂O₅	Molecular Weight:	558.639803 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: XUKUURHRXDUEBC-KAYWLYCHSA-N

• Atovaquone

IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione | CAS Registry Number: 95233-18-4
Synonyms: ATOVAQUONE, Mepron, Atavaquone, Malarone, Wellvone, Acuvel, Mixture Name, Malarone Pediatric, Compound 566, Mepron (TN), Spectrum_001743, SpecPlus_000686, Atovaquone (USP/INN), Mepron (antipneumocystic), Prestwick0_000534, Prestwick1_000534, Prestwick2_000534, Prestwick3_000534, Spectrum2_001665, Spectrum3_000991

Molecular Formula:	C₂₂H₁₉ClO₃	Molecular Weight:	366.837460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BSJMWHQBCZFXBR-UHFFFAOYSA-N

• Atracurium Besylate

IUPAC Name: benzenesulfonate; benzenesulfonate; 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate | CAS Registry Number: 64228-81-5
Synonyms: Tracrium, Atracurium besylate, Atracurium besilate, Atracurium, Nimbex, Tracrium (TN), Ambap2477, Tracrium Preservative Free, Atracurium besilate (INN), Atracurium besylate (USP), Atracurii besilas [INN-Latin], BW 33A, BW-33A, Atracurium besylate [USAN:BAN], A7604_SIGMA, BW 33 A, Besilate d'atracurium [INN-French], EINECS 264-743-4, Besilato de atracurio [INN-Spanish], C53H72N2O12

Molecular Formula:	C₆₅H₈₂N₂O₁₈S₂	Molecular Weight:	1243.479180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	18

InChIKey: XXZSQOVSEBAPGS-UHFFFAOYSA-L

• Auranofin

IUPAC Name: gold(1+); 3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate; triethylphosphane | CAS Registry Number: 34031-32-8
Synonyms: AURANOFIN, NSC321521, SK&F 39162, (1-Thio-.beta.-D-glucopyranosato)(triethylphosphine)gold 2,3,4,6-tetraacetate, Gold, (1-thio-.beta.-D-glucopyranosato)(triethylphosphine)-, 2,3,4,6-tetraacetate, Gold, (2,3,4,6-tetra-O-acetyl-1-thio-.beta.-D-glucopyranosato-S)(triethylphosphine)-

Molecular Formula:	C₂₀H₃₄AuO₉PS	Molecular Weight:	678.483871 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	10

InChIKey: AUJRCFUBUPVWSZ-UHFFFAOYSA-M

• 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:	C₁₇H₂₀ClN₃O₃	Molecular Weight:	349.812000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WUKZPHOXUVCQOR-UHFFFAOYSA-N

• Azasetron hydrochloride

IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride | CAS Registry Number: 141922-90-9
Synonyms: azasetron hydrochloride, Serotone, Azasetron, 123040-16-4, Y 25130, C17H20ClN3O3.HCl, Y-25130, 123040-69-7, 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride, 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, N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride, SMR000466285, Azasetron HCl, Serotone (TN), Nazasetron hydrochloride, AC1L3GCQ, NPFAPI-08, SureCN442156, MLS000758245, MLS001424223

Molecular Formula:	C₁₇H₂₁Cl₂N₃O₃	Molecular Weight:	386.272940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-N

• Azelastine hydrochloride

IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one | CAS Registry Number: 58581-89-8
Synonyms: azelastine, Optivar, Astelin, Azeptin, Azelastine (INN), Optivar (TN), Azelastinum [INN-Latin], Azelastina [INN-Spanish], Azelastine [INN:BAN], Spectrum2_000649, Spectrum3_001984, C22H24ClN3O, BSPBio_003584, SPBio_000657, KBio3_002992, CID2267, BRN 0900747, DB00972, NCGC00177979-01, LS-109214

Molecular Formula:	C₂₂H₂₄ClN₃O	Molecular Weight:	381.898460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MBUVEWMHONZEQD-UHFFFAOYSA-N

• Azithromycin

IUPAC Name: (2R,3S,4S,5R,6R,8R,11R,12R,13S,14R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,12,13-trihydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,11,13-heptamethyl-15-oxa-10-azacyclopentadecan-1-one | CAS Registry Number: 83905-01-5
Synonyms: azithromycin, Zithromax, Zitromax, Sumamed, Zmax, Azythromycin, Toraseptol, Zithromycin, Azitrocin, Azitromax, Hemomycin, Misultina, Mixoterin, Zentavion, Zithromac, Zitrotek, Azasite, Zithrax, Azenil, Aziwok

Molecular Formula:	C₃₈H₇₂N₂O₁₂	Molecular Weight:	748.984480 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: MQTOSJVFKKJCRP-BICOPXKESA-N

• Azosemide

IUPAC Name: 2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide | CAS Registry Number: 27589-33-9
Synonyms: azosemide, Azosemid, Diart, Luret, Diart (TN), Azosemidum [INN-Latin], Azosemida [INN-Spanish], Azosemide [USAN:INN:JAN], PLE 1053, Azosemide (JAN/USAN/INN), C12H11ClN6O2S2, CHEBI:31248, EINECS 248-549-7, CID2273, SK-110, BRN 1178491, SK 110, BM 02.001, NCGC00181340-01, LS-147761

Molecular Formula:	C₁₂H₁₁ClN₆O₂S₂	Molecular Weight:	370.837740 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: HMEDEBAJARCKCT-UHFFFAOYSA-N

• 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:	C₁₃H₁₇N₅O₈S₂	Molecular Weight:	435.432780 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: WZPBZJONDBGPKJ-VEHQQRBSSA-N

• Balsalazide

IUPAC Name: (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid | CAS Registry Number: 80573-04-2
Synonyms: BALSALAZIDE, Balsalazidum [Latin], Balsalazida [Spanish], Balsalazido [Spanish], Balsalazide Disodium, Balsalazide (INN), Balsalazide [INN:BAN], MLS001424257, C17H15N3O6, CID6335412, DB01014, CPD000469221, LS-36369, SAM001246804, SMR000469221, D07488, (E)-5-((4-(((2-Carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acid, Benzoic acid, 5-((4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, (E)-, 5-[(E)-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoic acid, (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Molecular Formula:	C₁₇H₁₅N₃O₆	Molecular Weight:	357.317500 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: KONZVQJABTUMFX-NDENLUEZSA-N

• Bambuterol

IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate | CAS Registry Number: 81732-65-2
Synonyms: Bambec, Bambuterolum [Latin], Bambuterol (INN), Bambuterol [BAN:INN], BAMBUTEROL HYDROCHLORIDE, Prestwick0_000361, Prestwick1_000361, Prestwick2_000361, Prestwick3_000361, BSPBio_000481, MLS002153785, SPBio_002402, BPBio1_000531, BB_SC-5089, C18H29N3O5, KWD-2183, DB01408, NCGC00179546-01, LS-49501, SMR001233168

Molecular Formula:	C₁₈H₂₉N₃O₅	Molecular Weight:	367.439960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ANZXOIAKUNOVQU-UHFFFAOYSA-N

• Barnidipine

IUPAC Name: 3-O-[(3S)-1-benzylpyrrolidin-3-yl] 5-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 104713-75-9
Synonyms: barnidipine, Vasexten, Vasexten (TN), Barnidipine (INN), CID443869, D07494

Molecular Formula:	C₂₇H₂₉N₃O₆	Molecular Weight:	491.535660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: VXMOONUMYLCFJD-DHLKQENFSA-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:	C₂₄H₂₈N₂O₅	Molecular Weight:	424.489520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XPCFTKFZXHTYIP-PMACEKPBSA-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:	C₂₈H₃₁N₃O₆	Molecular Weight:	505.562240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-N

• Benserazide Hydrochloride

IUPAC Name: 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide hydrochloride | CAS Registry Number: 14919-77-8
Synonyms: BENSERAZIDE HYDROCHLORIDE, Benzerazide hydrochloride, Madopa (Hoffmann-LaRoche), CCRIS 5092, MLS000028424, MLS001148252, B7283_SIGMA, C10H15N3O5.HCl, SPECTRUM1500137, EINECS 238-991-9, Benserazide hydrochloride (JP15), CID26964, Ro 4-4602/001, NCGC00093698-01, NCGC00093698-02, NCGC00093698-03, NCGC00093698-04, NCGC00093698-05, SMR000058421, LS-145026

Molecular Formula:	C₁₀H₁₆ClN₃O₅	Molecular Weight:	293.704140 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	7

InChIKey: ULFCBIUXQQYDEI-UHFFFAOYSA-N

• Beraprost

IUPAC Name: 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid | CAS Registry Number: 88430-50-6
Synonyms: beraprost, Beraprost (USAN), CID6917951, D02720

Molecular Formula:	C₂₄H₃₀O₅	Molecular Weight:	398.492000 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: CTPOHARTNNSRSR-APJZLKAGSA-N

• Beta Carotene

IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene | CAS Registry Number: 7235-40-7
Synonyms: beta-carotene, beta,beta-Carotene, Carotaben, Solatene, beta Carotene, Provitamin A, Provatene, Serlabo, Betacarotene, Vetoron, .beta. Carotene, Solatene (caps), trans-B-Carotene, Karotin [Czech], beta-Karotin, Food orange 5, b-Carotene, beta;-Carotene, .beta.-Carotene, Natural Yellow 26

Molecular Formula:	C₄₀H₅₆	Molecular Weight:	536.872640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: OENHQHLEOONYIE-JLTXGRSLSA-N

• Betaxolol Hydrochloride

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:	C₁₈H₂₉NO₃	Molecular Weight:	307.427760 [g/mol]
H-Bond Donor:	2	H-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:	C₁₈H₁₄F₄N₂O₄S	Molecular Weight:	430.373373 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-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:	C₂₂H₁₈N₂	Molecular Weight:	310.391720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OCAPBUJLXMYKEJ-UHFFFAOYSA-N

• Biochemical Pharmaceuticals

• 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:	C₁₀H₁₆N₂O₃S	Molecular Weight:	244.310640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N

• Bisantrene

IUPAC Name: N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine | CAS Registry Number: 78186-34-2
Synonyms: Bisantreno, Bisantrenum, Bisantrene [INN], Bisantrenum [INN-Latin], Bisantreno [INN-Spanish], BISANTRENE HYDROCHLORIDE, UNII-39C34M111K, CHEBI:128177, NSC337766, AIDS129215, NSC 337766, AIDS-129215, C22H22N8, BRN 0966309, 71439-68-4 (di-hydrochloride), CID5351322, CL 216942, LS-20289, CL216,942, 9,10-Anthracendicarbaldehyde bis(2-imidazolin-2-ylhydrazon)

Molecular Formula:	C₂₂H₂₂N₈	Molecular Weight:	398.463680 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: NJSMWLQOCQIOPE-OCHFTUDZSA-N

• Bisoprolol

IUPAC Name: 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol | CAS Registry Number: 66722-44-9
Synonyms: BISOPROLOL, Concor, Bisoprolol fumarate, Bisoprolol fumerate, Bisoprololum [Latin], Bisoprolol hemifumarate, Bisoprolol (USAN/INN), Prestwick0_000330, Prestwick1_000330, Prestwick2_000330, Prestwick3_000330, Bisoprolol [USAN:BAN:INN], BSPBio_000339, SPBio_002260, BPBio1_000373, CHEBI:3127, C18H31NO4, CID2405, EMD-33512, DB00612

Molecular Formula:	C₁₈H₃₁NO₄	Molecular Weight:	325.443040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: VHYCDWMUTMEGQY-UHFFFAOYSA-N

• Bleomycin

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-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-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: 11056-06-7
Synonyms: bleomycin a2, bleomycin, Bleo, Zhengguangmycin A2 [Chinese], CHEBI:3139, EINECS 234-356-5, C55H86N17O21S3, LS-44860, N1-(3-(Dimethylsulfonio)propyl)bleomycinamide, Bleomycinamide, N1-(3-(dimethylsulfonio)propyl)-, C06854, N(1)-[3-(dimethylsulfonio)propyl]bleomycinamide, (betaR)-N(alpha)-{[6-amino-2-((1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl)-5-methylpyrimidin-4-yl]carbonyl}-beta-{2-O-[3-O-(aminocarbonyl)-alpha-D-mannopyranosyl]-alpha-L-gulopyranosyloxy}-N-[(1R,2S,3S)-5-({(1S,2R)-1-[({2-[4-({[3-(dimethylsulfonio)propyl]amino}carbonyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)carbonyl]-2-hydroxypropyl}amino)-3-hydroxy-4-methyl-5-oxopentan-2-yl]-L-histidinamide, 11116-31-7, BLM

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

InChIKey: OYVAGSVQBOHSSS-UAPAGMARSA-O

• Brodimoprim

IUPAC Name: 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CAS Registry Number: 56518-41-3
Synonyms: Bromdimoprim, Brodimoprimum, Brodimoprima, Brodimoprime, Unitrim, Hyprim, Brodimoprim (INN), Brodimoprim [INN], Brodimoprime [INN-French], Brodimoprimum [INN-Latin], Brodimoprima [INN-Spanish], UNII-V1YC7T6LLI, C13H15BrN4O2, EINECS 260-238-8, CHEBI:142531, Ro 10-5970, AIDS106872, AIDS-106872, CID68760, Ro 105970

Molecular Formula:	C₁₃H₁₅BrN₄O₂	Molecular Weight:	339.187800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: BFCRRLMMHNLSCP-UHFFFAOYSA-N

• Bromocriptine

Synonyms: bromocriptine, Bromocryptine, Bromoergocriptine, Bromocriptin, Bromergocryptine, Bromoergocryptine, Bromocriptinum, Parlodel, Bromocriptina, Bromocryptin, Bromergon, Pravidel, Ergoset, Bagren, 2-Bromoergokryptine, 2-Bromo-alpha-ergokryptin, Bromocriptine [BAN], Bromocryptine mesylate, 2-Bromo-alpha-ergocryptine, 2-Bromo-alpha-ergokryptine

Molecular Formula:	C₃₂H₄₀BrN₅O₅	Molecular Weight:	654.594500 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: OZVBMTJYIDMWIL-AYFBDAFISA-N

• bucillamine

IUPAC Name: (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid | CAS Registry Number: 65002-17-7
Synonyms: Tiobutarit, Bucilant, Rimatil, Bucilant (TN), Bucillamine (JP15/INN), De-019, SA-96, D01809

Molecular Formula:	C₇H₁₃NO₃S₂	Molecular Weight:	223.313020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VUAFHZCUKUDDBC-BYPYZUCNSA-N

• Budesonide

Synonyms: budesonide, Entocort, Preferid, Pulmicort, Rhinocort, Rhinocort Aqua, Budenofalk, Inflammide, Cortivent, Horacort, Micronyl, Miflonide, Pulmaxan, Respules, Spirocort, Budeson, Budiair, Bidien, Rhinocort alpha, Giona Easyhaler

Molecular Formula:	C₂₅H₃₄O₆	Molecular Weight:	430.533860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: VOVIALXJUBGFJZ-KWVAZRHASA-N

• Bufexamac

IUPAC Name: 2-(4-butoxyphenyl)-N-hydroxyacetamide | CAS Registry Number: 2438-72-4
Synonyms: bufexamac, Anderm, Droxaryl, Flogicid, Malipuran, Norfemac, Parfenac, Parfenal, Feximac, Mofenar, Bufexamic acid, Bufessamac [DCIT], Flogocid N plastigel, Prestwick_676, Anderm (TN), Bufexamacum [INN-Latin], Spectrum_001754, Bufexamaco [INN-Spanish], Prestwick0_000243, Prestwick1_000243

Molecular Formula:	C₁₂H₁₇NO₃	Molecular Weight:	223.268280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MXJWRABVEGLYDG-UHFFFAOYSA-N

• Buflomedil hydrochloride

IUPAC Name: 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one | CAS Registry Number: 55837-25-7
Synonyms: Buflomedil, blufomedil, bufomedil, Fonzylane, Loftyl, Buflomedil (INN), Buflomedilum [INN-Latin], Prestwick0_000426, Prestwick1_000426, Prestwick2_000426, Prestwick3_000426, BSPBio_000412, Buflomedil [BAN:DCF:INN], Buflomedil [INN:BAN:DCF], buflomedil pyridoxal phosphate, B5899_SIGMA, SPBio_002351, BPBio1_000454, C17H25NO4, EINECS 259-851-3

Molecular Formula:	C₁₇H₂₅NO₄	Molecular Weight:	307.384700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: OWYLAEYXIQKAOL-UHFFFAOYSA-N

• Bumetanide

IUPAC Name: 3-(butylamino)-4-(phenoxy)-5-sulfamoylbenzoic acid | CAS Registry Number: 28395-03-1
Synonyms: bumetanide, Bumex, Fordiuran, Burinex, Bumethanide, Aquazone, Lunetoron, Butinat, Cambiex, Diurama, Fontego, Segurex, Yurinex, Drenural, Lixil-Leo, Bumedyl, Miccil, Prestwick_679, Bumetanidum [INN-Latin], Bumetanide Leo Brand

Molecular Formula:	C₁₇H₂₀N₂O₅S	Molecular Weight:	364.416100 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: MAEIEVLCKWDQJH-UHFFFAOYSA-N

• Bunazosin HCl

IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one hydrochloride | CAS Registry Number: 52712-76-2
Synonyms: Detantol, Andante, bunazosin hydrochloride, DDQ (pharmaceutical), Detantol (TN), Bunazocine hydrochloride, C19H27N5O3.HCl, UNII-18V54TZ7U6, Bunazosin hydrochloride (JP15), 80755-51-7 (Parent), CID115305, E-643, E643, LS-60196, D01887, E-1015, 4-Amino-2-(4-butanoylhexahydro-1H-1,4-diazepin-1-yl)-6,7-dimethoxyquinazoline hydrochloride, 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxobutyl)hexahydro-1H-1,4-diazepine monohydrochloride, 1H-1,4-Diazepine, hexahydro-1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxobutyl)-, monohydrochloride, DDQ

Molecular Formula:	C₁₉H₂₈ClN₅O₃	Molecular Weight:	409.910320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: NBGBEUITCPENLJ-UHFFFAOYSA-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

• Butenafine

IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine | CAS Registry Number: 101828-21-1
Synonyms: butenafine, Mentax, Butenafine [INN], Butenafine HCL, Butenafine (INN), Butenafine hydrochloride, Butenafinum [INN-Latin], Butenafina [INN-Spanish], Spectrum_001553, SpecPlus_000920, KBioSS_002033, DivK1c_007016, KBio1_001960, KBio2_002033, KBio2_004601, KBio2_007169, C23H27N, KP-363, AIDS008659, AIDS-008659

Molecular Formula:	C₂₃H₂₇N	Molecular Weight:	317.467180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ABJKWBDEJIDSJZ-UHFFFAOYSA-N

• Butenafine HCl

IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine hydrochloride | CAS Registry Number: 101827-46-7
Synonyms: Mentax, Volley, Butenafine hydrochloride, Mentax (TN), Volley (TN), Butenafine hydrochloride (JAN/USAN), KP-363, C12490, D01093

Molecular Formula:	C₂₃H₂₈ClN	Molecular Weight:	353.928120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LJBSAUIFGPSHCN-UHFFFAOYSA-N

• Butoconazole

IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole | CAS Registry Number: 64872-76-0
Synonyms: Femstat, Butaconazole, Butoconazolum, Butoconazol, Gynofort, Gynazole-1, Gynofort (TN), Butoconazole (INN), Butoconazol [INN-Spanish], Butoconazolum [INN-Latin], BUTOCONAZOLE NITRATE, Prestwick0_000408, Prestwick1_000408, Prestwick2_000408, Prestwick3_000408, Butoconazole [INN:BAN], duplicate RN for parent cpd, BSPBio_000336, C19H17Cl3N2S, SPBio_002275

Molecular Formula:	C₁₉H₁₇Cl₃N₂S	Molecular Weight:	411.775680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: SWLMUYACZKCSHZ-UHFFFAOYSA-N

• Cabergoline

Synonyms: cabergoline, Dostinex, Cabaseril, Cabaser, Galastop, Sogilen, Cabergolinum [Latin], Cabergolina [Spanish], Dostinex (TN), Cabaser (TN), Cabergoline [USAN:BAN:INN], Cabergoline (JAN/USAN/INN), FCE 21336, FCE-21336, C26H37N5O2, CID54746, BRN 6020775, CG-101, DB00248, LS-64370

Molecular Formula:	C₂₆H₃₇N₅O₂	Molecular Weight:	451.604280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-N

• Calcipotriene

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[1-[(E,2R,5R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 112828-00-9
Synonyms: calcipotriene, Calcipotriol, CID6435783

Molecular Formula:	C₂₇H₄₀O₃	Molecular Weight:	412.604700 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: LWQQLNNNIPYSNX-VVAPROMRSA-N

• Calcipotriol

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 112965-21-6
Synonyms: calcipotriene, Dovonex, Dovonex (TN), Calcipotriol (JAN), Calcipotriene (USAN), D01125

Molecular Formula:	C₂₇H₄₀O₃	Molecular Weight:	412.604700 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: LWQQLNNNIPYSNX-QNRBAYFRSA-N

• Calcitonin

Synonyms: Cibacalcin, Miacalcin, Calcimar, Fortical, Salmon calcitonin, Osseocalcina, Prontocalcin, Bionocalcin, Calcihexal, Calcimonta, Calcitonina, Calcitoran, Cibacalcine, Eptacalcin, Miracalcic, Ostostabil, Porostenina, Rulicalcin, Salmocalcin, Tonocalcin

Molecular Formula:	C₁₄₅H₂₄₀N₄₄O₄₈S₂	Molecular Weight:	3431.853100 [g/mol]
H-Bond Donor:	52	H-Bond Acceptor:	56

InChIKey: BBBFJLBPOGFECG-UHFFFAOYSA-N

• Calcitriol

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 32222-06-3
Synonyms: calcitriol, Rocaltrol, Calcijex, Topitriol, Soltriol, Vectical, Asentar, Silkis, vit D, Rocaltrol (TN), Dihydroxyvitamin D3, 1,25-Dihydroxyvitamin D, Ambap3896, 1db1, 1alpha,25-Dihydroxyvitamin D3, Spectrum5_002061, Calcitriolum [INN-Latin], 1alpha,25(OH)2D3, 1,25-Dihydroxyvitamin D3, 1alpha,25(OH)2-D3

Molecular Formula:	C₂₇H₄₄O₃	Molecular Weight:	416.636460 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: GMRQFYUYWCNGIN-NKMMMXOESA-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

• Camostat

IUPAC Name: [4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate | CAS Registry Number: 59721-28-7
Synonyms: camostate, foypan, Camostatum, camostate-mesilate, Camostat (INN), Camostat [INN], Camostatum [INN-Latin], UNII-0FD207WKDU, CCRIS 7219, FOY 305, FOY 305, monomethanesulfonate, FOY S 980, CID2536, FOY-305, C20H22N4O5, 59721-29-8 (monomethanesulfonate), NCGC00167526-01, LS-176023, D07606, Dimethylcarbamoylmethyl 4-(4-guqnidinobenzoyloxy)phenylacetat

Molecular Formula:	C₂₀H₂₂N₄O₅	Molecular Weight:	398.412480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: XASIMHXSUQUHLV-UHFFFAOYSA-N

• Camptothecin

Synonyms: camptothecin, Camptothecine, d-Camptothecin, (S)-Camptothecin, (+)-Camptothecin, (+)-Camptothecine, 20(S)-Camptothecine, 20(S)-Camptothecin, Camptothecine (8CI), Prestwick_102, (S)-(+)-Camptothecin, Camptothecine (S,+), Spectrum_000299, Tocris-1100, (S)-()-Camptothecin, SpecPlus_000712, Prestwick0_000200, Prestwick1_000200, Prestwick2_000200, Prestwick3_000200

Molecular Formula:	C₂₀H₁₆N₂O₄	Molecular Weight:	348.352040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VSJKWCGYPAHWDS-FQEVSTJZSA-N

• 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, 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, BSPBio_002691

Molecular Formula:	C₃₃H₃₄N₆O₆	Molecular Weight:	610.659660 [g/mol]
H-Bond Donor:	1	H-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:	C₉H₁₅NO₃S	Molecular Weight:	217.285300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

• Carbimazole

IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate | CAS Registry Number: 22232-54-8
Synonyms: Athyromazole, Carbimazol, Neomercazole, Atirozidina, Carbotiroid, Basolest, Mertiran, Neo-Thyreostat, Neo-Mercazole, Carbimazol spofa, Neo-Tireol, Carbinazole, Thyrostat, Carbethoxymethimazole, Carbimazol henning, TYRAZOL, Prestwick_788, Carbimazole (INN), Carbimazolum [INN-Latin], Carbimazol henning (TN)

Molecular Formula:	C₇H₁₀N₂O₂S	Molecular Weight:	186.231500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CFOYWRHIYXMDOT-UHFFFAOYSA-N