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Kang-Sun Pharmaceutical Limited

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Profile: Kang-Sun Pharmaceutical Limited specializes in the research, development, manufacturing and marketing of new drugs & advanced intermediates. Our product line includes rasagiline, decitabine, sitafloxacin sesquihydrate, epribucin HCL, brinzolamide, cinacalcet, bortezomib and lacosamide.

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• Aprepitant
IUPAC Name: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | CAS Registry Number: 170729-80-3
Synonyms: Emend, Aprepitant [USAN], MK 869, MK 0869, DB00673, NCGC00181785-01, LS-156477, L 754030, 3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, 3H-1,2,4-Triazol-3-one, 5-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, (2R-(2alpha(R*),3alpha))-, 221350-96-5, 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(sup 2)-1,2,4-triazolin-5-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Molecular Formula: C23H21F7N4O3Molecular Weight: 534.426662 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: ATALOFNDEOCMKK-BYYRLHKVSA-N

• Azelastine
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: C22H24ClN3OMolecular Weight: 381.898460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MBUVEWMHONZEQD-UHFFFAOYSA-N

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

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

InChIKey: YEJAJYAHJQIWNU-UHFFFAOYSA-N

• Bendamustine
IUPAC Name: 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid | CAS Registry Number: 16506-27-7
Synonyms: bendamustin, Cytostasan, Bendamustine [INN], Bendamustinum [Latin], Bendamustina [Spanish], Bendamustine (INN), Zimet 3393, SDX-105, C16H21Cl2N3O2, IMET 3393, SDX 105, CID65628, NCGC00181170-01, LS-32675, DD6304600, LS-173588, D07501, 5-(Bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolebutyric acid, 2-Benzimidazolebutyric acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-

Molecular Formula: C16H21Cl2N3O2Molecular Weight: 358.262840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YTKUWDBFDASYHO-UHFFFAOYSA-N

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

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

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Bortezomib
IUPAC Name: [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid | CAS Registry Number: 179324-69-7
Synonyms: Velcade, Pyz-Phe-boroLeu, Velcade (TN), DPBA, PROSCRIPT BORONIC ACID, Bortezomib (JAN/USAN/INN), PS-341, Ps 341, LDP-341, LPD 341, LPD-341, MLN-341, AIDS004352, AIDS-004352, CID387447, NSC681239, NSC-681239, NCI60_029010, D03150, BO2

Molecular Formula: C19H25BN4O4Molecular Weight: 384.237200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: GXJABQQUPOEUTA-RDJZCZTQSA-N

• Bosentan (hydrate)
IUPAC Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide hydrate | CAS Registry Number: 157212-55-0
Synonyms: Bosentan hydrate, Bosentan, Tracleer, Tracleer (TN), Bosentan (USAN), Bosentan [USAN], Bosentan hydrate (JAN), CHEBI:31300, TL8001188, D01227, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide hydrate, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-, monohydrate

Molecular Formula: C27H31N5O7SMolecular Weight: 569.629340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: SXTRWVVIEPWAKM-UHFFFAOYSA-N

• Cinacalcet
IUPAC Name: N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine | CAS Registry Number: 226256-56-0
Synonyms: Cinacalcet [INN], Cinacalcet (USAN), UNII-UAZ6V7728S, nchembio.2007.55-comp29, AMG073, CHEBI:48390, HSDB 7318, AMG 073, 364782-34-3 (Hydrochloride), CID156419, DB01012, NCGC00181002-01, LS-187374, TL8001899, D03504, N-((1R)-1-(1-Naphthyl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine, N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine, (R)-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine, (R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine, N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine

Molecular Formula: C22H22F3NMolecular Weight: 357.411990 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VDHAWDNDOKGFTD-MRXNPFEDSA-N

• Decitabine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 2353-33-5
Synonyms: Dezocitidine, Dacogen, 5-Aza-2'-deoxycytidine, AzadC, 5-Azadeoxycytidine, 5-aza-CdR, 5-aza-dC, Dacogen (TN), 2'-Deoxy-5-azacytidine, 5A2dc, 5-aza-2-deoxycytidine, 5-AZAdC, NCGC_5ADOC, Decitabine (USAN/INN), MolMap_000063, MLS001332587, MLS001332588, A3656_SIGMA, 5-Aza-2′-Deoxycytidine, 5-Deoxy-2′-azacytidine

Molecular Formula: C8H12N4O4Molecular Weight: 228.205280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

• Drospirenone
Synonyms: Dehydrospirorenone, Dihydrospirorenone, Yasmin, 1,2-Dihydrospirorenone, Drospirenone [INN], DRSP, 1,2-dihydro-spirorenone, Drospirenonum [INN-Latin], Drospirenona [INN-Spanish], 1, 2-Dihydrospirorenone, Drospirenone (USAN/INN), CCRIS 6523, CHEBI:50838, EINECS 266-679-2, ZK 30595, C24H30O3, ZK30595, BRN 4765500, SH-470, DB01395

Molecular Formula: C24H30O3Molecular Weight: 366.493200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: METQSPRSQINEEU-HXCATZOESA-N

• Epirubicin hydrochloride
IUPAC Name: (7S,9S)-7-[(2R,4S,5R,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 hydrochloride | CAS Registry Number: 56390-09-1
Synonyms: Ellence, Pharmorubicin, Farmorubicin, Epidoxorubicin, Farmorubicina, Pidorubicin, 4'-epi-Adriamycin, Ellence (TN), 4'-epi-Doxorubicin, Ambap5427, E-ADM, Epidoxorubicin hydrochloride, 4'-epi-DX, CCRIS 4477, 4'-Epidoxorubicin hydrochloride, 4'-epi-Adriamycin hydrochloride, MLS001401404, IMI-28, EINECS 260-145-2, Epirubicin hydrochloride [USAN:JAN]

Molecular Formula: C27H30ClNO11Molecular Weight: 579.980200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: MWWSFMDVAYGXBV-FGBSZODSSA-N

• Eplerenone
Synonyms: Epoxymexrenone, Inspra, Selara, Inspra (TN), Eplerenone (JAN/USAN/INN), CHEBI:31547, CGP-30083, NCGC00159559-01, NCGC00159559-02, SC-66110, TL8000270, C12512, D01115, 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone

Molecular Formula: C24H30O6Molecular Weight: 414.491400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: JUKPWJGBANNWMW-VWBFHTRKSA-N

• Eplerenone Intermediate
IUPAC Name: methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate | CAS Registry Number: 95716-70-4
Synonyms: Eplerenone intermediate, SureCN13007062, (7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester, AKOS015964868

Molecular Formula: C24H30O5Molecular Weight: 398.492000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: GWEKWJOSBYDYDP-CQPWOFQESA-N

• Ezetimibe
IUPAC Name: (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one | CAS Registry Number: 163222-33-1
Synonyms: Zetia, Vytorin, Ezedoc, Ezetrol, Zient, Mixture Name, Zetia (TN), Ezetimibe [USAN:INN], Sch 58235, Ezetimibe (JAN/USAN/INN), MLS000759443, MLS001424125, CHEBI:49040, (-)-Sch 58235, CID150311, SCH-58235, DB00973, MK-0653, CPD000466334, SAM001246623

Molecular Formula: C24H21F2NO3Molecular Weight: 409.425246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OLNTVTPDXPETLC-XPWALMASSA-N

• Febuxostat
IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid | CAS Registry Number: 144060-53-7
Synonyms: Adenuric, Uloric, Febuxostat [USAN], Tei-6720, Tei 6720, TMX 67, TMX-67, Febuxostat (JAN/USAN/INN), C16H16N2O3S, CID134018, LS-173202, D01206, 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid, 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, TEI

Molecular Formula: C16H16N2O3SMolecular Weight: 316.374840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BQSJTQLCZDPROO-UHFFFAOYSA-N

• Flucytosine
IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one | CAS Registry Number: 2022-85-7
Synonyms: flucytosine, 5-Fluorocytosine, Fluocytosine, Flucytosin, Ancobon, Fluorcytosine, Ancotil, 5-Fluorocytosin, 5-Fluorocystosine, Alcobon, Fluorocytosine, Flucytosone, Ancotyl, Cytosine, 5-fluoro-, 5-Flurocytosine, 5-FC, Ancobon (TN), Flucitosina [DCIT], Flucytosinum [INN-Latin], 5-Fluorocytosine-6-3H

Molecular Formula: C4H4FN3OMolecular Weight: 129.092463 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XRECTZIEBJDKEO-UHFFFAOYSA-N

• Idarubicin hydrochloride
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 57852-57-0
Synonyms: Idarubicin Hcl, Idamycin, Idamycin (TN), idarubicin hydrochloride, Ambap2475, MLS001401448, Idarubicin hydrochloride (JP15/USP), CPD000466355, SAM001246676, SMR000466355, D01747

Molecular Formula: C26H28ClNO9Molecular Weight: 533.954820 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: JVHPTYWUBOQMBP-RVFAQHLVSA-N

• Itopride free base
IUPAC Name: N-[[4-(2-dimethylaminoethyloxy)phenyl]methyl]-3,4-dimethoxybenzamide | CAS Registry Number: 122898-67-3
Synonyms: Itopride, Itax, UNII-81BMQ80QRL, CID3792, NCGC00167529-01, L002674, N-(p-(2-(Dimethylamino)ethoxy)benzyl)veratramide

Molecular Formula: C20H26N2O4Molecular Weight: 358.431440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QQQIECGTIMUVDS-UHFFFAOYSA-N

• Lamivudine
IUPAC Name: 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | CAS Registry Number: 134678-17-4
Synonyms: lamivudine, lamavudine, AZT + 3TC combination, (+)-SddC, MLS001055352, AIDS005244, AIDS-005244, CID73339, ZINC00015629, (+)-3TC, (+)-2',3'-Dideoxy-3'-thiacytidine, (+)-BCH 189, (+)-BCH-189, NCGC00090679-01, SMR000673568, (+)-(2S,5R)-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine, 134680-32-3, 4-Amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone, (2S-cis)-4-Amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone, 2(1H)-Pyrimidinone, 4-amino-1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-

Molecular Formula: C8H11N3O3SMolecular Weight: 229.256240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JTEGQNOMFQHVDC-RQJHMYQMSA-N

• Levetiracetam
IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanamide | CAS Registry Number: 102767-28-2
Synonyms: Keppra, Etiracetam, Torleva, Keppra XR, etiracetam, S-isomer, Levetiracetam [INN], Etiracetam levo-isomer, ucb L060, SIB-S1, Levetiracetamum [INN-Latin], MLS000759403, MLS001424069, UCB-L059, C8H14N2O2, UCB-L 059, CID5284583, CPD000466303, SAM001246539, SMR000466303, (2S)-2-(2-oxopyrrolidin-1-yl)butanamide

Molecular Formula: C8H14N2O2Molecular Weight: 170.208960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HPHUVLMMVZITSG-LURJTMIESA-N

• Losartan
IUPAC Name: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol | CAS Registry Number: 114798-26-4
Synonyms: losartan, Lortaan, Cozaar, Hyzaar, Mixture Name, Potassium, Losartan, Losartan [INN:BAN], Spectrum_001713, Losartan monopotassium salt, LOSARTAN POTASSIUM, Spectrum2_001677, Spectrum3_000998, Spectrum4_001126, Spectrum5_001466, DUP 89, DuP-753, DuP753, C22H23ClN6O, Monopotassium Salt, Losartan, Salt, Losartan Monopotassium

Molecular Formula: C22H23ClN6OMolecular Weight: 422.910620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: PSIFNNKUMBGKDQ-UHFFFAOYSA-N

• N,n-dipropyl-2-methyl-3-nitrophenylethanamine
IUPAC Name: N-[2-(2-methyl-3-nitrophenyl)ethyl]-N-propylpropan-1-amine | CAS Registry Number: 91374-23-1
Synonyms: N-(2-methyl-3-nitrophenethyl)-N-propylpropan-1-amine, Benzeneethanamine, 2-methyl-3-nitro-N,N-dipropyl-, [2-(2-Methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine, N-(2-Methyl-3-nitrophenethyl)-N-propylpropan-1-amine hydrochloride, PubChem13926, AGN-PC-00LZPZ, SureCN3841214, CTK6E4245, MolPort-003-987-441, ACT05040, ANW-45345, SBB064101, AKOS015890002, AG-B-31883, BD23106, RP29423, AK-59619, AB1004804, TL8005861, AM20041397

Molecular Formula: C15H24N2O2Molecular Weight: 264.363260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YTNVHUSMDIAWLT-UHFFFAOYSA-N

• N-Benzyl piperidine-4-carboxaldehyde
IUPAC Name: 1-(phenylmethyl)piperidine-4-carbaldehyde | CAS Registry Number: 22065-85-6
Synonyms: ZERO/005913, 1-Benzylpiperidine-4-carbaldehyde, 664081_ALDRICH, N-Benzylpiperidine-4-carboxaldehyde, ALBB-006394, CID89584, EINECS 244-757-7

Molecular Formula: C13H17NOMolecular Weight: 203.280180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N

• Oxaliplatin
IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine; oxalate; platinum(2+) | CAS Registry Number: 61825-94-3
Synonyms: oxaliplatin, oxalate, Oxalatoplatin, Oxalatoplatinum, Eloxatin, Eloxatin (TN), platinum(+2) cation, Oxaliplatinum [Latin], Oxaloplatine [French], Oxaliplatino [Spanish], Oxaloplatino [Spanish], Oxaliplatin (JAN/USAN/INN), Oxaliplatin [USAN:INN:BAN], (1R,2R)-cyclohexane-1,2-diamine, DB00526, D01790

Molecular Formula: C8H14N2O4PtMolecular Weight: 397.285760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

• Palonosetron
Synonyms: Onicit, 2-Qhbiqo, DB00377, NCGC00166415-01, NCGC00166415-02, RS 25233-197, RS 25233-198, RS 25259-197, RS 25259-198, RS-25233-197, RS-25233-198, RS-25259-197, RS-25259-198, LS-186967, LS-187778, 2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one, (S-(R*,R*))-2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one, 1H-Benz(de)isoquinolin-1-one, 2-(1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (S-(R*,R*))-

Molecular Formula: C19H24N2OMolecular Weight: 296.406660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CPZBLNMUGSZIPR-DOTOQJQBSA-N

• Posaconazole inter-8
IUPAC Name: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one | CAS Registry Number: 161532-56-5

Molecular Formula: C32H32F2N8O3Molecular Weight: 614.645086 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: BODQCIJGJACIKO-HEIROHQZSA-N

• Pramipexole
IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | CAS Registry Number: 104632-26-0
Synonyms: pramipexole, Pramipexol, Mirapex, (-)-Pramipexole, Pramipexol [Spanish], Pramipexolum [Latin], Spectrum_001838, SpecPlus_000820, Spectrum5_001453, Pramipexole (USAN/INN), Pramipexole [USAN:INN], SUD919CL2Y, KBioSS_002343, MLS000758250, MLS001423952, DivK1c_006916, CHEBI:8356, C10H17N3S, KBio1_001860, KBio2_002340

Molecular Formula: C10H17N3SMolecular Weight: 211.327080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FASDKYOPVNHBLU-ZETCQYMHSA-N

• Prasugrel
IUPAC Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate | CAS Registry Number: 150322-43-3
Synonyms: Effient, Efient, Prasugrel [INN], CS 747, CS-747, CID6918456, LY-640315, Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-

Molecular Formula: C20H20FNO3SMolecular Weight: 373.441103 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DTGLZDAWLRGWQN-UHFFFAOYSA-N

• Prasugrel Hydrochloride
IUPAC Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate hydrochloride | CAS Registry Number: 389574-19-0
Synonyms: Prasugrel hydrochloride, UNII-G89JQ59I13, Prasugrel hydrochloride (USAN), CID10158453, CID 10158453, LY 640315, D05597

Molecular Formula: C20H21ClFNO3SMolecular Weight: 409.902043 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: JALHGCPDPSNJNY-UHFFFAOYSA-N

• Ramipril
IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid | CAS Registry Number: 87333-19-5
Synonyms: ramipril, Tritace, Altace, Carasel, Triatec, Ramace, Delix, Lostapres, Cardace, Pramace, Acovil, Hytren, Vesdil, Quark, Unipril, Ramiprilum [Latin], Altace (TN), Ramipril (USP/INN), Spectrum_001958, Hoe-498

Molecular Formula: C23H32N2O5Molecular Weight: 416.510580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HDACQVRGBOVJII-JBDAPHQKSA-N

• Rasagiline Mesylate
IUPAC Name: methanesulfonic acid; (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine | CAS Registry Number: 161735-79-1
Synonyms: Azilect, Rasagiline mesylate, Agilect, Rasagiline mesilate, Azilect (TN), Rasagiline methanesulfonate, Rasagiline mesylate [USAN], Rasagiline mesylate (USAN), TVP-1012, TVP 1012, (+)-AGN-1135, LS-186552, D02562, (R)-N-2-Propynyl-1-indanamine methanesulfonate, 1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (R)-, methanesulfonate

Molecular Formula: C13H17NO3SMolecular Weight: 267.343980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-N

• Ribavirin
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide | CAS Registry Number: 36791-04-5
Synonyms: ribavirin, Virazole, Copegus, Rebetol, Ribasphere, Tribavirin, Viramid, Vilona, Rebetron, Ribamide, Ribamidil, Ribamidyl, Varazid, Ribavirine, Rebretron, Ribovirin, Viramide, Virazid, Ribav, Ribavirin Capsules

Molecular Formula: C8H12N4O5Molecular Weight: 244.204680 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-N

• Rubidomycin
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 20830-81-3
Synonyms: daunorubicin, Daunomycin, Acetyladriamycin, Leukaemomycin C, Daunarubicinum, Daunorrubicina, Daunorubicine, Rubomycin C, Daunamycin, Cerubidin, DaunoXome, Daunoblastine, Anthracyline, Cerubidine, Daunoblastin, (+)-Daunomycin, Rubomycin, Dauno-Rubidomycine, nchembio723-comp2, Tocris-1467

Molecular Formula: C27H29NO10Molecular Weight: 527.519860 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: STQGQHZAVUOBTE-VGBVRHCVSA-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: C33H30N4O2Molecular Weight: 514.616900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: RMMXLENWKUUMAY-UHFFFAOYSA-N

• 3-Carbamoyl Methyl-5-Methyl Hexanoic Acid
IUPAC Name: (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid | CAS Registry Number: 181289-33-8
Synonyms: (R)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, (R)-(-)-3-Carbamoymethyl-5-methylhexanoic acid, R-(-)-3-(Carbamoylmethyl)-5-methylhexanoic acid, (R)-3-(CARBAMOYLMETHYL)-5-METHYLHEXANOIC ACID, (R)-(-)-3-(Carbamoymethyl)-5-methylhexanoic acid, 185815-61-6, PubChem15653, Jsp003716, CTK0H1306, MolPort-005-932-283, AKOS006291565, AC-6812, AG-E-35040, LS30284, AK-26958, BR-26958, KB-03208, O880, (R)-3-Carbamoymethyl-5-methyl hexanoic acid, FT-0648924

Molecular Formula: C9H17NO3Molecular Weight: 187.236180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NPDKTSLVWGFPQG-SSDOTTSWSA-N

• 1,3-Propanediol, 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-
IUPAC Name: 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol | CAS Registry Number: 165115-73-1
Synonyms: 2-[2-(2,4-DIFLUOROPHENYL)-2-PROPEN-1-YL]-1,3-PROPANEDIOL, SureCN12186064, AKOS015912312, I14-35640

Molecular Formula: C12H14F2O2Molecular Weight: 228.235166 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WOLIKRXEOQATPC-UHFFFAOYSA-N

• 3-Isobutylglutaric acid
IUPAC Name: 3-(2-methylpropyl)pentanedioic acid | CAS Registry Number: 75143-89-4
Synonyms: 3-isobutylglutaric acid, 3-(2-methylpropyl)pentanedioic Acid, AG-G-99387, ACMC-1BF08, CTK5E1202, ANW-53939, SBB065993, 3-(2-methylpropyl)pentanedioic acid;, AKOS015841726, LS41047, Pentanedioic acid,3-(2-methylpropyl)-, RP24819, AK-50091, KB-32356, FT-0657207, A838334, I04-1068

Molecular Formula: C9H16O4Molecular Weight: 188.220940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UATSLDZQNXAKMA-UHFFFAOYSA-N

• 4-(4-(4-Nitrophenyl)-1-Piperazinyl)Phenol
IUPAC Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]phenol | CAS Registry Number: 112559-81-6
Synonyms: 4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol, Phenol,4-[4-(4-nitrophenyl)-1-piperazinyl]-, ACMC-1BUZB, AGN-PC-007YLX, SureCN3891177, CTK4A7866, MolPort-021-783-269, ANW-61378, ZINC21982756, AKOS008568216, AG-D-31856, AK-45191, AB1008578, KB-186840, 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol;, PB-01970599, Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-, I14-35911

Molecular Formula: C16H17N3O3Molecular Weight: 299.324480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BNHYDULILNJFFY-UHFFFAOYSA-N

• 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-
IUPAC Name: 4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one | CAS Registry Number: 74853-07-9
Synonyms: Oprea1_042897, EINECS 278-009-6, ZINC04661359, AP-312/40633639, 2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one, 4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

Molecular Formula: C19H21N5O2Molecular Weight: 351.402340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SEHQVBVJJRRRSG-UHFFFAOYSA-N

• 1,3,5-tri-O-Acetyl-2-Deoxy-alpha-D-Erythro-Pentofuranose
IUPAC Name: [(2R,3S,5S)-3,5-diacetyloxyoxolan-2-yl]methyl acetate | CAS Registry Number: 96291-74-6
Synonyms: 96291-75-7, (2S,4S,5R)-5-(Acetoxymethyl)tetrahydrofuran-2,4-diyl diacetate, 1,3,5-Tri-O-acetyl-2-deoxy-beta-D-erythro-pentofuranose, MolPort-027-835-633, ZINC04984255, AKOS016010257, AJ-52780, AK112688, SC-46288, KB-206850, 3B1-009255, [(2R,3S,5S)-3,5-bis(acetyloxy)oxolan-2-yl]methyl acetate

Molecular Formula: C11H16O7Molecular Weight: 260.240540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: QAGMBTAACMQRSS-HBNTYKKESA-N

• 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate | CAS Registry Number: 147027-10-9
Synonyms: SureCN14704975, AKOS016003298, AK-98719

Molecular Formula: C18H27N3O4SMolecular Weight: 381.489680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QMYKWNYBSBURDT-PJCYRADDSA-N

• 3-(Amino methyl)-5-methyl hexanoic acid (racemic)
IUPAC Name: 3-(aminomethyl)-5-methylhexanoic acid | CAS Registry Number: 130912-52-6
Synonyms: 3-(aminomethyl)-5-methylhexanoic acid, 128013-69-4, (+/-)-Pregabalin, AG-D-58125, 3-(aminomethyl)-5-methyl-hexanoic acid, Hexanoic acid,3-(aminomethyl)-5-methyl-, Pregabalin;, NCGC00095186-01, AC1NFWUF, PubChem15652, ACMC-20p1cu, ACMC-1CF05, CHEMBL88034, CTK4B5836, MolPort-000-000-622, ANW-51583, DNC011948, FC0023, STK894330, 3-(Aminomethyl)-5-methylhexanoicacid

Molecular Formula: C8H17NO2Molecular Weight: 159.226080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AYXYPKUFHZROOJ-UHFFFAOYSA-N

• (3beta,7alpha,15alpha)-3,7,15-Trihydroxy-androst-5-en-17-one
IUPAC Name: (3S,7S,8R,9S,10R,13S,14S,15S)-3,7,15-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 2963-69-1
Synonyms: 3b,7a,15a-Trihydroxyandrost-5-en-17-one, SureCN855786, CTK4G3590, MolPort-004-786-160, AKOS016000585, AG-E-96606, AK118972, KB-234749, FT-0654908, Androst-5-en-17-one,3,7,15-trihydroxy-, (3b,7a,15a)-, Androst-5-en-17-one,3b,7a,15a-trihydroxy- (7CI,8CI);3b,7a,15a-Trihydroxyandrost-5-en-17-one;

Molecular Formula: C19H28O4Molecular Weight: 320.423220 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: FTEHGIIZAGEILF-NSSDSGNWSA-N

• 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-, (6S)-
IUPAC Name: (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | CAS Registry Number: 106092-09-5
Synonyms: (s)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine, (S)-4,5,6,7-Tetrahydro-benzothiazole-2,6-diamine, (s)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine, (S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, AG-D-20340, (6S)-4,5,6,7-Tetrahydro-1,3-benzothiazol-2,6-diamine, (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, (6s)-, S-(-)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, PubChem14626, PubChem14627, UNII-J4N3Y41JML, 2,6-Benzothiazolediamine,4,5,6,7-tetrahydro-, (6S)-, KSC504I0B, Pramipexole related compound A, Jsp000560, CTK4A4400, MolPort-002-499-492, ACT07187, ANW-52357

Molecular Formula: C7H11N3SMolecular Weight: 169.247340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DRRYZHHKWSHHFT-BYPYZUCNSA-N

• 2-chloro-1-cyclopropyl-2-(2-fluorophenyl)-Ethanone
IUPAC Name: 2-chloro-1-cyclopropyl-2-(2-fluorophenyl)ethanone | CAS Registry Number: 178688-43-2
Synonyms: 2-CHLORO-1-CYCLOPROPYL-2-(2-FLUOROPHENYL)ETHANONE, AG-E-28849, Ethanone, 2-chloro-1-cyclopropyl-2-(2-fluorophenyl)-, ETH109, CTK4D6856, ANW-44179, AKOS015854318, AK-88858, BD228537, KB-229364, X6147, Ethanone,2-chloro-1-cyclopropyl-2-(2-fluorophenyl)-, I14-32730, 2-CHLORO-1-CYCLOPROPYL-2-(2-FLUOROPHENYL)-ETHANONE

Molecular Formula: C11H10ClFOMolecular Weight: 212.647903 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PUSSGWBQJBLHJL-UHFFFAOYSA-N

• 11-Hydroxy Canrenone
IUPAC Name: (10R,11R,13S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione | CAS Registry Number: 192569-17-8
Synonyms: 11|A-Hydroxy Canrenone, SureCN14284936, AKOS015967424, (11|A,17|A)-11,17-Dihydroxy-3-oxopregna-4,6-diene-21-carboxylic Acid |A-Lactone

Molecular Formula: C22H28O4Molecular Weight: 356.455320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RJTDWMKVQUPGSY-GOAYFHFKSA-N

• 4,5,6,7-Tetrahydro-[3,2,-c]Thieno Pyridine
IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine | CAS Registry Number: 54903-50-3
Synonyms: EINECS 259-389-2, 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine, AS0127, CID3085076, 4,5,6,7-Tetrahydrothieno(3,2-c)pyridine, TL8003594

Molecular Formula: C7H9NSMolecular Weight: 139.218060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OGUWOLDNYOTRBO-UHFFFAOYSA-N

• 1-(4-Aminophenyl)-4-(4-methoxyphenyl)piperazine
IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]aniline | CAS Registry Number: 74852-62-3
Synonyms: ZINC04651118, TL8005142, 4-(4-(4-Methoxyphenyl)-1-piperazinyl)benzenamine, Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-

Molecular Formula: C17H21N3OMolecular Weight: 283.368140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VXEGSRKPIUDPQT-UHFFFAOYSA-N

• 4-[a-(4-cyanophenyl)-chloromethyl]-benzonitrile
IUPAC Name: benzonitrile;4-(chloromethyl)benzonitrile | CAS Registry Number: 112809-57-1
Synonyms: benzonitrile; 4-(chloromethyl)benzonitrile, A802656, benzenecarbonitrile; 4-(chloromethyl)benzenecarbonitrile

Molecular Formula: C15H11ClN2Molecular Weight: 254.714240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SPAWGHWXSBCJFS-UHFFFAOYSA-N

• 1H-1,2,4-Triazole, 1-[[(2S)-2-(2,4-difluorophenyl)oxiranyl]methyl]-
IUPAC Name: 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole | CAS Registry Number: 141113-42-0
Synonyms: 86386-76-7, AO-366/25096001, 1-[2-(2,4-Difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole, 1-2(2,4-Difluorophenyl)-2,3epoxypropyl-1H-1,2,4triazol mesylate, 1-[[2-(2,4-Difluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole, 1-{[2-(2,4-difluorophenyl)-2-oxiranyl]methyl}-1H-1,2,4-triazole, 1-[[(2S)-2-(2,4-DIFLUOROPHENYL)OXIRANYL]METHYL]-1H-1,2,4-TRIAZOLE, Fluconazole Epoxy Impurity, CHEMBL2062536, UNII-616851VAC8, CTK5F6537, MolPort-003-803-201, SBB098761, AKOS005266338, AC-5335, AG-H-48319, KB-151611, I14-16335, 2-(2,4-difluorophenyl)-2-(1,2,4-triazolylmethyl)oxirane, 1-[[2-(2,4-Difluorophenyl)oxiranyl]methyl]-1H-1,2,4-triazole

Molecular Formula: C11H9F2N3OMolecular Weight: 237.205466 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UIXQTZYZQHYHRL-UHFFFAOYSA-N


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