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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• Abacavir Sulfate

IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; sulfuric acid | CAS Registry Number: 188062-50-2
Synonyms: Abacavir sulfate, Ziagen, Ziagen (TN), 1592U89 sulfate, Abacavir sulfate (JAN/USAN), CHEBI:2361, D00891, bis({(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol) sulfate

Molecular Formula:	C₂₈H₃₈N₁₂O₆S	Molecular Weight:	670.743120 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	18

InChIKey: WMHSRBZIJNQHKT-FFKFEZPRSA-N

• Aceclofenac Bp98

IUPAC Name: 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid | CAS Registry Number: 89796-99-6
Synonyms: Aceclofenac, Aceclofenac (TN), Aceclofenacum [Latin], Prestwick_772, Aceclofenaco [Spanish], Aceclofenac [BAN:INN], Aceclofenac (JAN/INN), Prestwick0_000175, Prestwick1_000175, Prestwick2_000175, Prestwick3_000175, BSPBio_000069, C16H13Cl2NO4, MLS001032069, MLS001304028, MLS002154226, SPBio_001990, BPBio1_000077, BB_SC-2095, CID71771

Molecular Formula:	C₁₆H₁₃Cl₂NO₄	Molecular Weight:	354.184720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MNIPYSSQXLZQLJ-UHFFFAOYSA-N

• Acemetacin

IUPAC Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid | CAS Registry Number: 53164-05-9
Synonyms: acemetacin, Rantudil, Acemetacinum, Aximeixin, Rheumibis, Acemix, Rantodil, Emflex, Rantudil (TN), Prestwick_669, Spectrum_000428, Acemetacine [INN-French], Acemetacinum [INN-Latin], Acemetacin (JAN/INN), Acemetacina [INN-Spanish], Prestwick0_000296, Prestwick1_000296, Prestwick2_000296, Prestwick3_000296, Spectrum2_001162

Molecular Formula:	C₂₁H₁₈ClNO₆	Molecular Weight:	415.823720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: FSQKKOOTNAMONP-UHFFFAOYSA-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:	C₆H₆N₂O₃	Molecular Weight:	154.123440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: DJQOOSBJCLSSEY-UHFFFAOYSA-N

• Aclarubicin

IUPAC Name: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate | CAS Registry Number: 57576-44-0
Synonyms: aclarubicin, Aclacinomycin A, Aclaplastin, Aclacinon, Jaclacin, Aclacin, Spartanamicin B, Spectrum_000467, Spectrum2_001934, Spectrum4_000768, Spectrum5_001041, Aclarubicin (USAN/INN), KBioGR_001156, KBioSS_000947, SPBio_001967, KBio2_000947, KBio2_003515, KBio2_006083, AIDS000124, AIDS-000124

Molecular Formula:	C₄₂H₅₃NO₁₅	Molecular Weight:	811.867920 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	16

InChIKey: USZYSDMBJDPRIF-SVEJIMAYSA-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:	C₂₂H₂₄N₂O₂	Molecular Weight:	348.438160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PWACSDKDOHSSQD-IUTFFREVSA-N

• Actarit

IUPAC Name: 2-(4-acetamidophenyl)acetic acid | CAS Registry Number: 18699-02-0
Synonyms: actarit, Orcl, Mover, Actarit [INN:JAN], Actaritum [INN-Latin], Orcl (TN), Actarit (JAN/INN), 4-Acetylaminophenylacetic acid, 4-Acetamidophenylacetic acid, (p-Acetamidophenyl)acetic acid, CCRIS 3777, 4-N-Acetylaminophenylacetic acid, MLS000759453, MLS000881203, MLS001423954, 4-(Acetylamino)benzeneacetic acid, [4-(acetylamino)phenyl]acetic acid, C10H11NO3, EINECS 242-511-3, CID2018

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MROJXXOCABQVEF-UHFFFAOYSA-N

• Actinomycin - D

IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide | CAS Registry Number: 50-76-0
Synonyms: actinomycin D, Cosmegen, Lyovac cosmegen, Actinomycin Aiv, Dactinomycin D, Meractinomycin, Oncostatin K, Actinomycin IV, Actinomycin 7, DACTINOMYCIN, Actinomycin I, Chounghwamycin B, Actinomycin C1, Actinomycin I1, Acto-D, Actinomycin X 1, Actinomycin A IV, actinomycin cl, dactinomyein d, Actinomycin C(sub1)

Molecular Formula:	C₆₂H₈₆N₁₂O₁₆	Molecular Weight:	1255.417040 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	18

InChIKey: RJURFGZVJUQBHK-UHFFFAOYSA-N

• Acyclovir

IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one | CAS Registry Number: 59277-89-3
Synonyms: acyclovir, Acycloguanosine, Aciclovir, Zovirax, Virorax, Vipral, Aciclovier, Viropump, Virolex, Genvir, Maynar, AcycloFoam, Wellcome-248U, Aciclovir sodium, Acyclovir Lauriad, Prestwick_6, Acyclovir [USAN], 1pwy, Aciclovirum [Latin], Acyclovir (USP)

Molecular Formula:	C₈H₁₁N₅O₃	Molecular Weight:	225.204640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: MKUXAQIIEYXACX-UHFFFAOYSA-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:	C₂₀H₃₂N₅O₈P	Molecular Weight:	501.470541 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	13

InChIKey: WOZSCQDILHKSGG-UHFFFAOYSA-N

• Adenosine

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 58-61-7
Synonyms: adenosine, Adenine riboside, Adenocard, Adenoscan, deoxyadenosine, Desoxyadenosine, Nucleocardyl, Sandesin, Boniton, Myocol, beta-Adenosine, beta-D-Adenosine, Adenine nucleoside, Polyadenosine, Adenosin, Adenyldeoxyriboside, Polyriboadenosine, Adenosin [German], adenine-D-ribose, 1odi

Molecular Formula:	C₁₀H₁₃N₅O₄	Molecular Weight:	267.241320 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

• Adrafinil

IUPAC Name: 2-[di(phenyl)methylsulfinyl]-N-hydroxyacetamide | CAS Registry Number: 63547-13-7
Synonyms: Olmifon, ADRAFINIL, Adrafinil [INN], Adrafinil (INN), Olmifon (TN), Adrafinilum [INN-Latin], A0479_SIGMA, CRL 40028, C15H15NO3S, EINECS 264-303-1, BRN 1990030, CRL-40028, 2-(Benzhydrylsulfinyl)acetohydroxamic acid, CID3033226, LS-9451, NCGC00165714-01, NCGC00165714-02, 2-((Diphenylmethyl)sulfinyl)acetohydroxamsaeure, 2-((Diphenylmethyl)sulfinyl)-N-hydroxyacetamide, 2-((Diphenylmethyl)sulfinyl)acetohydroxamic acid

Molecular Formula:	C₁₅H₁₅NO₃S	Molecular Weight:	289.349500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: CGNMLOKEMNBUAI-UHFFFAOYSA-N

• Adriamycin

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 23214-92-8
Synonyms: doxorubicin, Adriblastina, Adriablastin, Adriblastin, Doxil, Adriacin, Rubex, Adriblas tina, Doxorubicin HCl, 14-Hydroxydaunomycin, Adriamycin PFS, Adriamycin RDF, 14-Hydroxydaunorubicine, Adriamycin semiquinone, Adriblastina (TN), nchembio809-comp5, DOXO, Doxorubicin Hydrochloride, Doxorubicine [INN-French], Doxorubicinum [INN-Latin]

Molecular Formula:	C₂₇H₂₉NO₁₁	Molecular Weight:	543.519260 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-N

• Aglepristone

IUPAC Name: (8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 124478-60-0
Synonyms: Alizine, Alizine (TN), Aglepristone (INN), D07096

Molecular Formula:	C₂₉H₃₇NO₂	Molecular Weight:	431.609580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: RTCKAOKDXNYXEH-FWSJOHTJSA-N

• Alacepril

IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid | CAS Registry Number: 74258-86-9
Synonyms: alacepril, Cetapril, aracepril, Alaceprilum [Latin], Cetapril (TN), Alacepril [INN:JAN], Ambap5418, Alacepril (JP15/INN), C20H26N2O5S, NSC 338157, CID71992, DU 1219, DU-1219, BRN 3634372, LS-105750, D01900, 1-(D-3-Acetylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine, N-(2-((S)-3-Acetylthio-2-methylpropionyl)propyl)-3-phenylalanin, L-Phenylalanine, N-(1-(3-(acetylthio)-2-methyl-1-oxopropyl)-L-prolyl)-, (S)-, N-(1-((S)-3-Mercapto-2-methylpropionyl)-L-prolyl)-3-phenyl-L-alanine acetate (ester)

Molecular Formula:	C₂₀H₂₆N₂O₅S	Molecular Weight:	406.495840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

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

InChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-N

• Alclometasone

IUPAC Name: [(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 66734-13-2
Synonyms: Aclovate, alclometasone, Aclosone, Legederm, Modrasone, Delonal, Almeta, Vaderm, Aclovate (TN), ALCLOMETASONE DIPROPIONATE, Sch-22219, Alclometasone dipropionate (JAN/USP), DB00240, D01820, [(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate

Molecular Formula:	C₂₈H₃₇ClO₇	Molecular Weight:	521.042180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: DJHCCTTVDRAMEH-DUUJBDRPSA-N

• Alendronate Sodium

IUPAC Name: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate trihydrate | CAS Registry Number: 121268-17-5
Synonyms: Alendros, Adronat, Elandor, Fosalan, Fosamax, Dronal, ALENDRONATE SODIUM, Fosamax (TN), Alendronate sodium hydrate, Sodium alendronate hydrate, Alendronate sodium [USAN], Alendronate sodium (USAN), Alendronate sodium trihydrate, A4978_SIGMA, CHEBI:2566, Alendronate sodium hydrate (JAN), CID60736, MK-217, Alendronic acid monosodium salt trihydrate, LS-106424

Molecular Formula:	C₄H₁₈NNaO₁₀P₂	Molecular Weight:	325.123712 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	11

InChIKey: DCSBSVSZJRSITC-UHFFFAOYSA-M

• Alfacalcidol

IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 41294-56-8
Synonyms: alfacalcidol, 1alpha-Hydroxypregnacalciferol, LMST03020661, CID5284515, (1S,3R,5E,7Z)-9,10-secocholesta-5,7,10-triene-1,3-diol, (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

Molecular Formula:	C₂₇H₄₄O₂	Molecular Weight:	400.637060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OFHCOWSQAMBJIW-GITLSTMWSA-N

• Alfuzosin

IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide | CAS Registry Number: 81403-80-7
Synonyms: alfuzosin, alphuzosine, Alfusosine, Xatral, Alfuzosine [French], Alfuzosinum [Latin], Alfuzosin (INN), Alfuzosina [Spanish], Xatral (TN), Alfuzosin Hydrochloride, Alfuzosin [INN:BAN], Prestwick0_000322, Prestwick1_000322, Prestwick2_000322, Prestwick3_000322, Spectrum2_000505, Spectrum3_001063, Spectrum4_001208, Spectrum5_000817, BSPBio_000323

Molecular Formula:	C₁₉H₂₇N₅O₄	Molecular Weight:	389.448780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: WNMJYKCGWZFFKR-UHFFFAOYSA-N

• Alfuzosin HCL

IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride | CAS Registry Number: 81403-68-1
Synonyms: Uroxatral, Alfoten, Xatral, Urion, alfuzosin, Alfetim, Alfuzosin Hydrochloride, Xatral Retard, Xatral OD, Xatral SR, Xatral XL, Uroxatral (TN), Alfuzosin hydrochloride [USAN], C19H27N5O4, Alfuzosin hydrochloride (JAN/USAN), LS-70107, SL 77499-10, SL-77499, SL 77 499-10, SL-7749910

Molecular Formula:	C₁₉H₂₈ClN₅O₄	Molecular Weight:	425.909720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: YTNKWDJILNVLGX-UHFFFAOYSA-N

• Alizapride

IUPAC Name: 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide | CAS Registry Number: 59338-93-1
Synonyms: Plitican, Vergentan, Limican, Liticum, Alizapride [INN], Plitican (TN), Alizapride (INN), Alizapridum [INN-Latin], Alizaprida [INN-Spanish], Ambap6304, EINECS 261-710-6, C16H21N5O2, BRN 6432438, DB01425, MS 5080, MS-5080, LS-41534, D07102, N-((1-Allyl-2-pyrrolidinyl)methyl)-6-methoxy-1H-benzotriazole-5-carboxamide, 1H-Benzotriazole-5-carboxamide, 6-methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-

Molecular Formula:	C₁₆H₂₁N₅O₂	Molecular Weight:	315.370240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KSEYRUGYKHXGFW-UHFFFAOYSA-N

• Allo-Purinol

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:	C₅H₄N₄O	Molecular Weight:	136.111460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N

• Almotriptan

IUPAC Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine | CAS Registry Number: 154323-57-6
Synonyms: Axert, Almogran, Almotriptan malate, Almotriptan (USAN), Spectrum_001884, Spectrum2_000498, Spectrum3_001006, Spectrum4_001134, Spectrum5_001554, BSPBio_002731, KBioGR_001647, KBioSS_002414, SPECTRUM1505204, SPBio_000395, Almotriptan [USAN:INN:BAN], C17H27N3O2S, KBio2_002408, KBio2_004976, KBio2_007544, KBio3_001951

Molecular Formula:	C₁₇H₂₅N₃O₂S	Molecular Weight:	335.464300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: WKEMJKQOLOHJLZ-UHFFFAOYSA-N

• Almotriptan Maleate

IUPAC Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine; 2-hydroxybutanedioic acid | CAS Registry Number: 181183-52-8
Synonyms: Axert, Almotriptan malate, Axert (TN), Almotriptan malate (USAN), LAS 31416 D,L-malate acid, PNU 180638E, LAS 31416, LS-181812, D02825, 1-(((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)pyrrolidine, hydroxybutanedionate (1:1), Butanedioic acid, hydroxy-, compd. with 1-(((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)pyrrolidine (1:1), 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine malate (1:1), 1-(((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)pyrrolidine, hydroxybutanedioate (1:1), 1-[[[3-(2-dimethylamino)ethyl]-1H-indol-5-yl]-methyl]sulfonyl]pyrrolidine (+/-)-hydroxybutanedioate

Molecular Formula:	C₂₁H₃₁N₃O₇S	Molecular Weight:	469.551740 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: QHATUKWEVNMHRY-UHFFFAOYSA-N

• Alprostadil

IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid | CAS Registry Number: 745-65-3
Synonyms: alprostadil, Prostaglandin E1, Befar, Prostandin, Prostavasin, Caverject, Topiglan, Femprox, Sugiran, Viridal, Alista, Prink, Edex, Muse, FemLife, Prostin VR, Alprox-TD, PGE1, PGE1 Oligomer, Befar (TN)

Molecular Formula:	C₂₀H₃₄O₅	Molecular Weight:	354.480960 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-N

• Altrenogest

IUPAC Name: (8S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 850-52-2
Synonyms: Regumate, Allyltrenbolone, Altrenogest (USAN/INN), 33994_RIEDEL, DRC-6246, RH-2267, RU-2267, CID10041070, NCGC00166309-01, D02840, A-35957, 17-alpha-Allyl-17-beta-hydroxyoestra-4,9,11-trien-3-one

Molecular Formula:	C₂₁H₂₆O₂	Molecular Weight:	310.429940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VWAUPFMBXBWEQY-ANULTFPQSA-N

• Ambroxol Hcl

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:	C₁₃H₁₈Br₂N₂O	Molecular Weight:	378.102820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: JBDGDEWWOUBZPM-UHFFFAOYSA-N

• Amfebutamone

IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | CAS Registry Number: 34911-55-2
Synonyms: bupropion, Amfebutamon, 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, Prestwick2_000249, Prestwick3_000249, Spectrum2_001659

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

InChIKey: SNPPWIUOZRMYNY-UHFFFAOYSA-N

• Amifostine

IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate | CAS Registry Number: 112901-68-5
Synonyms: amifostine, Ethyol, Amifostine hydrate, Anifostine trihydrate, Amifostine (USP), Amifostine trihydrate, ETHYOL (TN), Amifostine [USAN:INN:BAN], C5H15N2O3PS.3H2O, NSC 296961, LS-172202, D00226, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate

Molecular Formula:	C₅H₂₁N₂O₆PS	Molecular Weight:	268.268801 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	8

InChIKey: TXQPXJKRNHJWAX-UHFFFAOYSA-N

• Amikacin Sulfate

IUPAC Name: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide; sulfuric acid | CAS Registry Number: 39831-55-5
Synonyms: Amikin, Amikafur, Biodacyn, Chemacin, Fabianol, Amitrex, Kaminax, Likacin, Lukadin, Pierami, Biklin, Kancin-Gap, Amikacin disulfate, AMIKACIN SULFATE, Amikacin bis(sulphate), Amikin (TN), Amikacin disulfate salt, Antibiotic BB-K8 sulfate, Amikacin sulfate [USAN:JAN], NN-K 8

Molecular Formula:	C₂₂H₄₇N₅O₂₁S₂	Molecular Weight:	781.759480 [g/mol]
H-Bond Donor:	17	H-Bond Acceptor:	25

InChIKey: FXKSEJFHKVNEFI-GCZBSULCSA-N

• Aminoglutethimide

IUPAC Name: 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione | CAS Registry Number: 125-84-8
Synonyms: aminoglutethimide, Cytadren, Orimeten, Elipten, p-Aminoglutethimide, dl-Aminoglutethimide, Cytadren (TN), Prestwick_243, aminoglutethimide (AG), Spectrum_000040, Glutethimide, para-amino, (?)-p-Aminoglutethimide, Prestwick0_000244, Prestwick1_000244, Prestwick2_000244, Prestwick3_000244, Spectrum2_000093, Spectrum3_000296, Spectrum4_000144, Spectrum5_000802

Molecular Formula:	C₁₃H₁₆N₂O₂	Molecular Weight:	232.278340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ROBVIMPUHSLWNV-UHFFFAOYSA-N

• Amlexanox

IUPAC Name: 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid | CAS Registry Number: 68302-57-8
Synonyms: amlexanox, Aphthasol, Amoxanox, Solfa, Amlenanox, Aptheal, Apthera, Elics, OraRinse, Amlexanoxum [Latin], Amlexanoxo [Spanish], OraDisc A, Aphthasol (TN), Solfa (TN), Amlexanox [USAN:INN:JAN], CCRIS 2686, AA-673, Amlexanox (JAN/USAN/INN), CHX 3673, MLS000759466

Molecular Formula:	C₁₆H₁₄N₂O₄	Molecular Weight:	298.293360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: SGRYPYWGNKJSDL-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:	C₂₀H₂₅ClN₂O₅	Molecular Weight:	408.875900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: HTIQEAQVCYTUBX-UHFFFAOYSA-N

• Amorolfin

IUPAC Name: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine | CAS Registry Number: 78613-35-1
Synonyms: Amorolfine, Loceryl, amorolfin, Loceryl (TN), Amorolfinum [Latin], Amorolfina [Spanish], amorolfine hydrochloride, Amorolfine (USAN/INN), Amorolfine [USAN:BAN:INN], C21H35NO, AIDS017386, AIDS-017386, CID54260, NCGC00167524-01, Ro 14-4767-002, LS-176596, Ro 14-4767/000, Ro-14-4767-002, D02923, Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-

Molecular Formula:	C₂₁H₃₅NO	Molecular Weight:	317.508700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MQHLMHIZUIDKOO-AYHJJNSGSA-N

• Amprolium

IUPAC Name: 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine chloride | CAS Registry Number: 121-25-5
Synonyms: amprolium, Amprovine, Amprol, Veterinary, Amprovine (TN), Amprolium [INN-Latin], Amprolio [INN-Spanish], Amprolium (USP/INN), Amprolium [BAN:INN], Amprolium [INN:BAN], EINECS 204-458-4, LS-184310, D02928, 1-((4-Amino-2-propyl-5-pyrimidinyl)methyl)-2-picolinium chloride, 2-Picolinium, 1-((4-amino-2-propyl-5-pyrimidinyl)methyl)-, chloride, 1-((4-Amino-2-propyl-5-pyrimidinyl)methyl)-2-methylpyridinium chloride, Pyridinium, 1-((4-amino-2-propyl-5-pyrimidinyl)methyl)-2-methyl-, chloride, 1-((4-Amino-2-propyl-5-pyrimidinyl)methyl)-2-methylpyridinium chloride monohydrochloride, 1-((4-Amino-2-propyl-5-pyrimidinyl)methyl)-2-picolinium chloride monohydrochloride

Molecular Formula:	C₁₄H₁₉ClN₄	Molecular Weight:	278.780460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LCTXBFGHZLGBNU-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:	C₁₀H₉N₃O	Molecular Weight:	187.197960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-N

• Amsacrine

IUPAC Name: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide hydrochloride | CAS Registry Number: 54301-15-4
Synonyms: M-Amsacrine, m-Amsa hydrochloride, Amsacrine hydrochloride, m-AMSA, MLS002153376, A9809_SIGMA, NCI-C03190, NSC 141549, NSC141549, NCGC00093644-01, LS-90297, SMR000875352, EU-0100154, METHANESULFON-M-ANISIDIDE 4'-(9-ACRIDINYLAMINO)-,, 4'-(9-Acridinylamino)methanesulfon-m-aniside monohydrochloride, Methanesulfone-m-anisidine-4'-((9-acridinyl)amino) hydrochloride, Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-, monohydrochloride, Methanesulfon-m-anisidine, 4'-((9-acridinyl)amino)-, hydrochloride, Methanesulfonyl-m-anisidine, 4'-(9-acridinylamino)-, monohydrochloride, N-(4-(9-Acridinylamino)-3-methoxyphenyl)-methanesulfonamide monohydrochloride

Molecular Formula:	C₂₁H₂₀ClN₃O₃S	Molecular Weight:	429.919800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: WDISRLXRMMTXEV-UHFFFAOYSA-N

• Anagrelide

IUPAC Name: 6,7-dichloro-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one | CAS Registry Number: 68475-42-3
Synonyms: anagrelide, Anagrelida, Anagrelide HCL, Anagrelide [INN:BAN], Anagrelidum [INN-Latin], Anagrelida [INN-Spanish], Anagrelide (INN/BAN), Anagrelide [BAN:INN], C10H7Cl2N3O, ANAGRELIDE HYDROCHLORIDE, HSDB 7325, BL-4162A, BRN 0619582, BL 416201, DB00261, NCGC00161408-01, LS-80464, D07455, 6,7-Dichlor-1,5-dihydroimidazo(2,1-b)chinazolin-2(3H)-on, 6,7-Dichloro-1,5-dihydroimidazo(2,1-b)quinazolin-2(3H)-one

Molecular Formula:	C₁₀H₇Cl₂N₃O	Molecular Weight:	256.088080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OTBXOEAOVRKTNQ-UHFFFAOYSA-N

• Ancitabine

Synonyms: Cyclocytidine, Ancytabine, Anhydroara C, Anhydrocytidine, Ancitabina, Ancitabinum, ANCITABINE, Cyclo-C, Anhydro-Ara-C, 2,2'-Cyclocytidine, Ancitabine [INN], 2,2'-Anhydrocytidine, OCTD, 2,2'-O-Cyclocytidine, Ancitabinum [INN-Latin], Ancitabina [INN-Spanish], O(sup 2),2'-Cyclocytidine, UNII-DO2D32W0VC, 2,2'-Anhydroarabinosylcytosine, CCRIS 2757

Molecular Formula:	C₉H₁₁N₃O₄	Molecular Weight:	225.201340 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: BBDAGFIXKZCXAH-CCXZUQQUSA-N

• Aniracetam

IUPAC Name: 1-(4-methoxybenzoyl)pyrrolidin-2-one | CAS Registry Number: 72432-10-1
Synonyms: aniracetam, Draganon, Sarpul, Ampamet, Reset, Spectrum_001342, Tocris-0867, 1-anisoyl-2-pyrrolidinone, Aniracetamun [INN-Latin], Spectrum3_001553, Spectrum4_000761, Spectrum5_001609, Lopac-A-9950, 1-(4-Methoxybenzoyl)-2-pyrrolidinone, 1-p-Anisoyl-2-pyrrolidinone, Biomol-NT_000222, Aniracetam [USAN:INN:JAN], 1-p-anisoylpyrrolidin-2-one, Lopac0_000115, BSPBio_003026

Molecular Formula:	C₁₂H₁₃NO₃	Molecular Weight:	219.236520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZXNRTKGTQJPIJK-UHFFFAOYSA-N

• Anthralin

IUPAC Name: 1,8-dihydroxy-10H-anthracen-9-one | CAS Registry Number: 1143-38-0
Synonyms: anthralin, Dithranol, Chrysodermol, Cigthranol, Batridol, Cignolin, Psoriacid-Stift, Anthra-Derm, Anthraderm, Anthraline, 1,8-Dihydroxyanthrone, Anthrone, 1,8-dihydroxy-, Anthralin (USP), Dithranol (INN), Prestwick_528, 1,8-Dihydroxy-9-anthrone, Dithranolum [INN-Latin], Spectrum_000056, ANTHRADERM (TN), Spectrum2_000111

Molecular Formula:	C₁₄H₁₀O₃	Molecular Weight:	226.227400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NUZWLKWWNNJHPT-UHFFFAOYSA-N

• Apraclonidine

IUPAC Name: 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine | CAS Registry Number: 66711-21-5
Synonyms: apraclonidine, Iopidine, Aplonidine, 4-Aminoclonidine, p-aminoclonidine, para-aminoclonidine, Iopidine (TN), Apraclonidine (INN), Apraclonidinum [INN-Latin], Apraclonidina [INN-Spanish], p-Aminoclonidine hydrochloride, Lopac-A-0779, Apraclonidine [INN:BAN], Lopac0_000033, C9H10Cl2N4, A0779_SIGMA, APRACLONIDINE HYDROCHLORIDE, CID2216, ALO 2145, ALO-2145

Molecular Formula:	C₉H₁₀Cl₂N₄	Molecular Weight:	245.108500 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: IEJXVRYNEISIKR-UHFFFAOYSA-N

• Aprotinin

Synonyms: Trasylol, Trazinin, Zymofren, Iniprol, APROTININ, Riker 52G, Bayer A 128, AIDS043659, AIDS-043659, RP-9921, RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA

Molecular Formula:	C₂₈₄H₄₃₂N₈₄O₇₉S₇	Molecular Weight:	6511.439280 [g/mol]
H-Bond Donor:	93	H-Bond Acceptor:	102

InChIKey: ZPNFWUPYTFPOJU-LPYSRVMUSA-N

• Aranidipine

IUPAC Name: 5-O-methyl 3-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 86780-90-7
Synonyms: aranidipine, Sapresta, Aranidipine [INN], Sapresta (TN), Mpc-1304, Aranidipine (JAN/INN), CCRIS 6724, MPC 1304, CID2225, C19H20N2O7, LS-131299, D01562, C059427, (+-)-Acetonyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate, methyl 2-oxopropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-oxopropyl ester, bec

Molecular Formula:	C₁₉H₂₀N₂O₇	Molecular Weight:	388.371300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: NCUCGYYHUFIYNU-UHFFFAOYSA-N

• Arbekacin

IUPAC Name: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide | CAS Registry Number: 51025-85-5
Synonyms: Haberacin, Habekacin, Arbekacin [INN], Arbekacine [French], Arbekacinum [Latin], Arbekacina [Spanish], Arbekacin (INN/USAN), CHEBI:37922, C22H44N6O10, CID68682, NCGC00167530-01, LS-146936, D07462, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1->6))-N'-((2S)-4-amino-2-hydroxybutyryl)-2-deoxy-L-streptamine, (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide, O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-6))-N'-((2S)-4-amino-2-hydroxybutyryl)-2-deoxy-L-streptamine

Molecular Formula:	C₂₂H₄₄N₆O₁₀	Molecular Weight:	552.618960 [g/mol]
H-Bond Donor:	11	H-Bond Acceptor:	15

InChIKey: MKKYBZZTJQGVCD-XTCKQBCOSA-N

• Argatroban

IUPAC Name: (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate | CAS Registry Number: 141396-28-3
Synonyms: argatroban, Novastan, Argatroban hydrate, Novastan (TN), Argatroban (USAN), Argatroban hydrate (JAN), D00181

Molecular Formula:	C₂₃H₃₈N₆O₆S	Molecular Weight:	526.649420 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: AIEZTKLTLCMZIA-LINCPPCXSA-N

• Arprinocide

IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine | CAS Registry Number: 55779-18-5
Synonyms: Arprinocid, Arpocox, Arprinocida, Arprinocidum, Arpocox Pom, Arpocox (TN), Arprinocide [INN-French], Arprinocidum [INN-Latin], Arprinocida [INN-Spanish], Arprinocid (USAN/INN), C12H9ClFN5, Arprinocid [USAN:BAN:INN], 9-(2-Chlor-6-fluorbenzyl)adenin, EINECS 259-817-8, 9-(2-Chloro-6-fluorobenzyl)adenine, CHEBI:257681, MK 302, MK-302, AIDS008310, AIDS-008310

Molecular Formula:	C₁₂H₉ClFN₅	Molecular Weight:	277.684763 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: NAPNOSFRRMHNBJ-UHFFFAOYSA-N

• Aspoxicillin

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-4-(methylamino)-4-oxobutanoyl]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: 63358-49-6
Synonyms: aspoxicillin, Aspoxicillan, Doyle, Aspoxicilina [Spanish], Aspoxicilline [French], Aspoxicillinum [Latin], Aspoxicillin (INN), Doyle (TN), Aspoxicillin [INN:JAN], CCRIS 2514, C21H27N5O7S, TA 058, TA-058, N(sup 4)-Methyl-D-asparagininylamoxicillin, NCGC00181352-01, LS-72203, C13269, D07469, (2S,5R,6R)-6-((2R)-2-((2R)-2-Amino-3-(methylcarbamoyl)propionamido)-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, (2S-(2-alpha,5-alpha,6-beta))-

Molecular Formula:	C₂₁H₂₇N₅O₇S	Molecular Weight:	493.533380 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: BHELIUBJHYAEDK-OAIUPTLZSA-N

• Astemizole

IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine | CAS Registry Number: 68844-77-9
Synonyms: astemizole, Hismanal, Histaminos, Paralergin, Alermizol, Astemison, Hestazol, Histamen, Wareezol, Laridal, Metodih, Retolen, Kelp, Novo-mastizol A, Astemizol [German], [3H]Astemizole, Prestwick_35, nchembio732-comp2, nchembio806-comp1, Astemizol [INN-Spanish]

Molecular Formula:	C₂₈H₃₁FN₄O	Molecular Weight:	458.570343 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: GXDALQBWZGODGZ-UHFFFAOYSA-N