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39 Products/Chemicals (Click for related suppliers)

• Adefovir

IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid | CAS Registry Number: 106941-25-7
Synonyms: ADEFOVIR, PMEA, Adefovir [USAN:INN], 9-PMEA, Adefovir (USAN/INN), 9-(2-Phosphonylmethoxyethyl)adenine, GS 393, C8H12N5O4P, 9-(2-phosphonomethoxyethyl)adenine, DRG-0156, N-(2-Phosphonylmethoxyethyl)adenine, GS 0393, 9-(2-(Phosphonomethoxy)ethyl)adenine, AIDS000048, AIDS-000048, CID60172, GS-0393, 9-(2-Phosphorylmethoxyethyl)adenine, 9-[2-Phosphonylmethoxyethyl]adenine, BRN 3561094

Molecular Formula:	C₈H₁₂N₅O₄P	Molecular Weight:	273.185741 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: SUPKOOSCJHTBAH-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

• 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

• Amlodipine Besylate

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

Molecular Formula:	C₂₆H₃₁ClN₂O₈S	Molecular Weight:	567.050940 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: ZPBWCRDSRKPIDG-UHFFFAOYSA-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

• Beta-Asarone

IUPAC Name: 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene | CAS Registry Number: 5273-86-9
Synonyms: beta-Asarone, Asarone, cis-Asarone, 221074_ALDRICH, CHEBI:583297, MolPort-003-925-788, ZINC13424754, CID5281758, cis-1-Propenyl-2,4,5-trimethoxybenzene, cis-2,4,5-Trimethoxy-1-propenylbenzene, C10430

Molecular Formula:	C₁₂H₁₆O₃	Molecular Weight:	208.253640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RKFAZBXYICVSKP-WAYWQWQTSA-N

• Biapenem

IUPAC Name: (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-8-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | CAS Registry Number: 120410-24-4
Synonyms: Omegacin, Omegacin (TN), Biapenem [USAN:INN], Biapenem (JAN/USAN/INN), CHEBI:3089, C15H18N4O4S, LJC-10627, LJ C10,627, CID71339, CLI 86815, CLI-86815, LJC 10627, LJC10,627, CLI 86,815, CL 186,815, L 627, L-627, CL-186815, LS-172449, TL8000539

Molecular Formula:	C₁₅H₁₈N₄O₄S	Molecular Weight:	350.392820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: MRMBZHPJVKCOMA-YJFSRANCSA-N

• Cefpodoxime Proxetil

IUPAC Name: 1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CAS Registry Number: 87239-81-4
Synonyms: Vantin, Podomexef, cefpodoxime proxetil, Orelox, Otreon, Banan, Doxef, Vantin (TN), CPDX-PR, Cefpodoxime proxetil (JP15/USP), CS-807, RU-51807, C08115, D00920, U-76252, 1-({[(1-methylethyl)oxy]carbonyl}oxy)ethyl (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-[(methyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Molecular Formula:	C₂₁H₂₇N₅O₉S₂	Molecular Weight:	557.597180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	12

InChIKey: LTINZAODLRIQIX-FBXRGJNPSA-N

• Cetirizine

IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid | CAS Registry Number: 83881-51-0
Synonyms: cetirizine, Cetryn, Ziptek, Setir, Cetiderm, Virlix, Zirtek, Zyrtec, Cetrizine Hcl, Cetirizinum [Latin], Cetirizina [Spanish], Hitrizin Film Tablet, Cetiderm (TN), Cetirizine (INN), nchembio714-comp3, Cetirizine [INN:BAN], Prestwick0_000503, Prestwick1_000503, Prestwick2_000503, Prestwick3_000503

Molecular Formula:	C₂₁H₂₅ClN₂O₃	Molecular Weight:	388.887800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ZKLPARSLTMPFCP-UHFFFAOYSA-N

• Cetrizine Dihydrochloride

IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid dihydrochloride | CAS Registry Number: 83881-52-1
Synonyms: Zyrtec, Reactine, Alertisin, Cetriler, Formistin, Ressital, Salvalerg, Stopaler, Alercet, Alergex, Cetrine, Cetzine, Setiral, Zyrzine, Alerid, Riztec, Virdos, Zirtin, Cezin, Ryzen

Molecular Formula:	C₂₁H₂₇Cl₃N₂O₃	Molecular Weight:	461.809680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: PGLIUCLTXOYQMV-UHFFFAOYSA-N

• Desloratadine

Synonyms: Clarinex, Neoclarityn, Aerius, Descarboethoxyloratadine, Desloratidine, Denosin, Desalex, Azomyr, Opulis, Allex, Clarinex RediTabs, Descarboethoxyoratidine, Clarinex (TN), Desloratadine [USAN], Desloratadine (USAN/INN), Essex brand of desloratadine, Sch 34117, MLS000559042, MLS000759406, MLS001201801

Molecular Formula:	C₁₉H₁₉ClN₂	Molecular Weight:	310.820560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-N

• Docetaxel

Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula:	C₄₃H₅₃NO₁₄	Molecular Weight:	807.879220 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Doripenem

IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CAS Registry Number: 148016-81-3
Synonyms: Doripenem (USAN/INN), Doripenem [USAN:INN], NCGC00167510-01, D03895, S 4661, S-4661, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-(((aminosulfonyl)amino)methyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, (4R,5S,6S)-, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((aminosulfonyl)amino)methyl)-3-pyrrolidinyl)thio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-, (4R-(3(3S*,5S*),4alpha,5beta,6beta(R*)))-

Molecular Formula:	C₁₅H₂₄N₄O₆S₂	Molecular Weight:	420.504260 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: AVAACINZEOAHHE-VFZPANTDSA-N

• Epirubicin

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 | CAS Registry Number: 56420-45-2
Synonyms: Epiadriamycin, 4'-Epiadriamycin, Epidoxorubicin, Ridorubicin, Ellence, 4'-epidoxorubicin, Farmorubicin, Pidorubicin, 4-Epidoxorubicin, Epi-DX, Epirubicine [French], Epirubicinum [Latin], Epirubicina [Spanish], 4'-epi-Doxorubicin, Epirubicine [INN-French], Epirubicinum [INN-Latin], Epirubicin [INN:BAN], Epirubicina [INN-Spanish], Pidorubicine [INN-French], Pidorubicinum [INN-Latin]

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

InChIKey: AOJJSUZBOXZQNB-VTZDEGQISA-N

• Fexofenadine

IUPAC Name: 2-[4-[1-hydroxy-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid | CAS Registry Number: 83799-24-0
Synonyms: fexofenadine, Carboxyterfenadine, Terfenadine-COOH, Fexofendine, Terfenadine carboxylate, Terfenadine acid metabolite, Spectrum_001914, Spectrum2_001179, Spectrum3_001921, Spectrum4_000204, Spectrum5_001474, Fexofenadine [INN:BAN], FEXOFENADINE HYDROCHLORIDE, Lopac0_000488, BSPBio_003521, KBioGR_000807, KBioSS_002456, SPBio_001197, C32H39NO4, HSDB 7486

Molecular Formula:	C₃₂H₃₉NO₄	Molecular Weight:	501.656360 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: RWTNPBWLLIMQHL-UHFFFAOYSA-N

• Fexofenadine HCL

IUPAC Name: 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid hydrochloride | CAS Registry Number: 153439-40-8
Synonyms: Allegra, Telfast, fexofenadine, Altiva, Allegra Flash, Allegra (TN), ALLEGRA-D, FEXOFENADINE HYDROCHLORIDE, Fexofenidine hydrochloride, MDL 16455 hydrochloride, C32H39NO4.HCl, MLS001306422, MLS001332493, MLS001332494, F9427_SIGMA, SPECTRUM1504179, Carboxyterfenadine hydrochloride, MDL 16,455A, Terfenadine carboxylate hydrochloride, Fexofenadine hydrochloride [USAN]

Molecular Formula:	C₃₂H₄₀ClNO₄	Molecular Weight:	538.117300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: RRJFVPUCXDGFJB-UHFFFAOYSA-N

• Fropenem

IUPAC Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CAS Registry Number: 106560-14-9
Synonyms: faropenem, Fropenem [INN], CHEBI:51257, TL8000237, (+)-(5R,6S)-6-((1R)-1-Hydroxyethyl)-7-oxo-3-((2R)-tetrahydro-2-furyl)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6alpha-[(R)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylic acid, (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6alpha-[(1R)-1-hydroxyethyl]-2-[(2R)-tetrahydrofuran-2-yl]-2,3-didehydropenam-3-carboxylic acid, FPM

Molecular Formula:	C₁₂H₁₅NO₅S	Molecular Weight:	285.316200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: HGGAKXAHAYOLDJ-FHZUQPTBSA-N

• Indole-2-Carboxylic Acid

IUPAC Name: 1H-indole-2-carboxylic acid | CAS Registry Number: 1477-50-5
Synonyms: 2-Carboxyindole, Indole-2-carboxylic acid, 2-Indolecarboxylic acid, 1H-Indole-2-carboxylic acid, Spectrum_001485, SpecPlus_000676, Spectrum2_000021, Spectrum3_000943, Spectrum4_001042, Spectrum5_001735, I5109_ALDRICH, Oprea1_557882, KBioGR_001304, KBioSS_001965, DivK1c_006772, SPECTRUM1502082, SPBio_000081, INDOLE-2-CARBOXLIC ACID, EINECS 216-030-4, KBio1_001716

Molecular Formula:	C₉H₇NO₂	Molecular Weight:	161.157380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N

• L-Alanyl-L-Glutamine

IUPAC Name: (2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid | CAS Registry Number: 39537-23-0
Synonyms: alanylglutamine, Ala-gln, Alanyl-glutamine, Glutamine-S, l-Alanyl-l-glutamine, L-Glutamine, N2-L-alanyl-, N(2)-L-Alanyl-L-glutamine, A0550_SIGMA, A8185_SIGMA, G8541_SIGMA, CID123935, TL8002855

Molecular Formula:	C₈H₁₅N₃O₄	Molecular Weight:	217.222400 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: HJCMDXDYPOUFDY-WHFBIAKZSA-N

• Liranaftate

IUPAC Name: O-(5,6,7,8-tetrahydronaphthalen-2-yl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate | CAS Registry Number: 88678-31-3
Synonyms: Piritetrate, Zefnart, Piritetate, Liranaftate [INN], Zefnart (TN), Liranaftatum [INN-Latin], Liranaftato [INN-Spanish], Liranaftate (JAN/INN), CID3936, AIDS029680, M-732, AIDS-029680, NCGC00164601-01, LS-50830, TL8005749, D01550, O-(5,6,7,8,-Tetrahydro-2-naphthyl) 6-methoxy-N-methylthio-2-pyridinecarbamate, Carbamothioic acid, (6-methoxy-2-pyridinyl)methyl-, O-(5,6,7,8-tetrahydro-2-naphthalenyl) ester

Molecular Formula:	C₁₈H₂₀N₂O₂S	Molecular Weight:	328.428600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VPHPQNGOVQYUMG-UHFFFAOYSA-N

• Loratadine

Synonyms: loratadine, Claritin, Clarityne, Loratidine, Clarityn, Civeran, Lisino, Versal, Allertidin, Histaloran, Polaratyne, Aerotina, Alerpriv, Anhissen, Bonalerg, Claratyne, Clarinase, Claritine, Fristamin, Lertamine

Molecular Formula:	C₂₂H₂₃ClN₂O₂	Molecular Weight:	382.883220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JCCNYMKQOSZNPW-UHFFFAOYSA-N

• Nimustine

IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea | CAS Registry Number: 42471-28-3
Synonyms: Nimustin, NIMUSTINE, Nimustine [INN], ACNU, Nimustine hydrochloride, Nimustinum [INN-Latin], Nimustina [INN-Spanish], Spectrum_000389, SpecPlus_000878, Spectrum2_000877, Spectrum3_001632, Spectrum4_000599, Spectrum5_001510, Lopac-N-8659, CCRIS 2751, C9H15ClN6O2, Lopac0_000820, BSPBio_003323, KBioGR_001098, KBioSS_000869

Molecular Formula:	C₉H₁₃ClN₆O₂	Molecular Weight:	272.691520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: VFEDRRNHLBGPNN-UHFFFAOYSA-N

• Olmesartan

IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-butyl-5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate | CAS Registry Number: 144689-78-1
Synonyms: N-Butyl Olmesartan Medoxomil, SCHEMBL2844872, MolPort-027-836-950, AKOS016012150, AM90309, AK122587, 1H-Imidazole-5-carboxylic acid, 2-butyl-4-(1-hydroxy-1-methylethyl)-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester

Molecular Formula:	C₃₀H₃₂N₆O₆	Molecular Weight:	572.611680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: UREFBEDUPPNTPO-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:	C₈H₁₄N₂O₄Pt	Molecular Weight:	397.285760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

• Pioglitazone

IUPAC Name: 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 111025-46-8
Synonyms: Actos, Zactos, Pioglitazonum [INN-Latin], nchembio790-comp10, Pioglitazona [INN-Spanish], Pioglitazone [BAN:INN], Spectrum_001623, pioglitazone hydrochloride, Spectrum2_001679, Spectrum3_001002, Spectrum4_001130, Spectrum5_001480, Spectrum5_002067, Pioglitazone [INN:BAN], BSPBio_002723, KBioGR_001619, KBioSS_002103, HSDB 7322, SPBio_001897, CHEBI:8228

Molecular Formula:	C₁₉H₂₀N₂O₃S	Molecular Weight:	356.438700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-N

• Pirarubicin

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 72496-41-4
Synonyms: pirarubicin, Therarubicin, Therarubicin (TN), Pirarubicin (JP15/INN), NCGC00167982-01, D01885

Molecular Formula:	C₃₂H₃₇NO₁₂	Molecular Weight:	627.635680 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	13

InChIKey: KMSKQZKKOZQFFG-HSUXVGOQSA-N

• Prulifloxacin

IUPAC Name: (1R)-6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid | CAS Registry Number: 123447-62-1
Synonyms: Sword, PUFX, Sword (TN), Prulifloxacin (JAN/INN), CID443877, TL8000628, D01144

Molecular Formula:	C₂₁H₂₀FN₃O₆S	Molecular Weight:	461.463403 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: PWNMXPDKBYZCOO-LLVKDONJSA-N

• Rabeprazole

IUPAC Name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 117976-89-3
Synonyms: rabeprazole, dexrabeprazole, Aciphex, Pariet, Rebeprazole sodium, CLOFEZONE, irsogladine maleate, RABEPRAZOLE SODIUM, Rabeprazole [BAN:INN], Rabeprazole [INN:BAN], HSDB 7321, MLS001401446, CHEBI:8768, C18H21N3O3S, CID5029, DB01129, CPD000469174, LY307640, SAM001246619, SMR000469174

Molecular Formula:	C₁₈H₂₁N₃O₃S	Molecular Weight:	359.442640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: YREYEVIYCVEVJK-UHFFFAOYSA-N

• Ranolazine

IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide | CAS Registry Number: 95635-55-5
Synonyms: Ranexa, RANOLAZINE, Latixa, Ranolazine 2HCl, (-)-Ranolazine, Ran4, ( -)-Ranolazine, Ranolazine dihydrochloride, Ranexa (TN), Ranolazine [USAN], RAN D, Ranolazine (USAN/INN), Lopac0_001062, BSPBio_002276, MLS002154149, SPECTRUM1505366, CVT-303, CID56959, KEG-1295, DB00243

Molecular Formula:	C₂₄H₃₃N₃O₄	Molecular Weight:	427.536520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XKLMZUWKNUAPSZ-UHFFFAOYSA-N

• Rosiglitazone Hydrochloride

IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride | CAS Registry Number: 302543-62-0
Synonyms: Rosiglitazone hydrochloride, ROSIGLITAZONE HCl, 5-[[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione hydrochloride, 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione hydrochloride, ACMC-20p1d3, MLS001401416, CTK9A5774, MolPort-016-638-337, AKOS015896094, AG-E-99168, CCG-100958, CCG-221196, NC00208, AK114672, CPD000469170, SAM001246608, SMR000469170, AB2000479, A4310, ST51053218

Molecular Formula:	C₁₈H₂₀ClN₃O₃S	Molecular Weight:	393.887700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XRSCTTPDKURIIJ-UHFFFAOYSA-N

• Rosiglitazone Maleate

IUPAC Name: (Z)-but-2-enedioic acid; 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 155141-29-0
Synonyms: Avandia, Rosiglitazone maleate, rosiglitazone, Avandaryl, Nyracta, Venvia, Mixture Name, Avandia (TN), Rosiglitazone Maleate [USAN], MLS001306472, MLS001401426, BRL 49653C, BRL 49653-C, BRL-49653C, Rosiglitazone maleate (JAN/USAN), C18H19N3O3S.C4H4O4, NSC717764, Avandia administration for 6-12 weeks, CID5281055, CPD000471612

Molecular Formula:	C₂₂H₂₃N₃O₇S	Molecular Weight:	473.498920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: SUFUKZSWUHZXAV-BTJKTKAUSA-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:	C₂₇H₂₉NO₁₀	Molecular Weight:	527.519860 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: STQGQHZAVUOBTE-VGBVRHCVSA-N

• Sertraline Hydrochloride

IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride | CAS Registry Number: 79559-97-0
Synonyms: Zoloft, sertraline, Gladem, Serad, Sertraline hydrochloride, Atruline, Tresleen, Tatig, Lustral, Serlift, Aremis, Sertraline.HCl, Zoloft (TN), Ambap2474, C17H17Cl2N.HCl, Sertraline hydrochloride [USAN], MLS000758929, MLS001401398, S6319_SIGMA, SPECTRUM1505262

Molecular Formula:	C₁₇H₁₈Cl₃N	Molecular Weight:	342.690520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: BLFQGGGGFNSJKA-XHXSRVRCSA-N

• Sparfloxacin

IUPAC Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 111542-93-9
Synonyms: sparfloxacin, Zagam, Spara, SPFX, Zagam (TN), sparfloxacin, cis-isomer, Sparfloxacine [INN-French], Sparfloxacinum [INN-Latin], Esparfloxacino [INN-Spanish], CI-978, MLS000759417, Sparfloxacin & RU 40555, CI 978, 33967_RIEDEL, CHEBI:9212, Sparfloxacin (JAN/USAN/INN), DRG-0143, 56968_FLUKA, AT 4140, AT-4140

Molecular Formula:	C₁₉H₂₂F₂N₄O₃	Molecular Weight:	392.399786 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: DZZWHBIBMUVIIW-DTORHVGOSA-N

• Tropisetron

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate | CAS Registry Number: 89565-68-4
Synonyms: tropisetron, Navoban, Novaban, Navoban (TN), Tropisetron (INN), Lopac-T-104, STOCK1N-71105, PDSP1_000776, PDSP2_000764, ICS-205930, NCGC00015984-01, NCGC00161414-01, C13666, D02130, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate

Molecular Formula:	C₁₇H₂₀N₂O₂	Molecular Weight:	284.352900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N

• Vindesine Sulfate

Synonyms: vindesine sulfate, Eldesine, Eldisine, Fildesin, Fildesin (TN), Vindesine sulfate salt, DAVA, Lilly 99094, Vindesina sulfato [Spanish], Desacetylvinblastine amide sulfate, Vindesine sulfate [USAN:JAN], MLS001424270, Vindesine sulfate (JAN/USAN), CHEBI:32295, EINECS 261-984-7, C43H55N5O7.H2O4S, NSC 245467, LY 099094, CPD000469153, SAM001246568

Molecular Formula:	C₄₃H₅₇N₅O₁₁S	Molecular Weight:	852.004580 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	15

InChIKey: COFJBSXICYYSKG-FJFFLIEUSA-N

• Vinorelbine Tartrate

Synonyms: Navelbine, vinorelbine, Vinorelbine tartrate, Vinorelbine ditartrate, Navelbine (TN), Vinorelbine tartrate [USAN], Vinorelbine tartrate (USP), Vinorelbine ditartrate (JAN), Nor-5'-anhydrovinblastine ditartrate, CID60779, KW-2307, C45H54N4O8.2C4H6O6, KW 2307, LS-97534, D01935, Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (1:2) (salt), C'-Norvincaleukoblastine, 3',4'-didehydro-4'-deoxy-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:2) (salt), 3',4'-Didehydro-4'-deoxy-8'-norvincaleukoblastine L-(+)-tartrate (1:2) (salt)

Molecular Formula:	C₅₃H₆₆N₄O₂₀	Molecular Weight:	1079.105940 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	24

InChIKey: CILBMBUYJCWATM-NPJYPKOYSA-N

• (+)-Monocalciumbis{(3r,5s,6e)-7-[2-Cyclopropyl-4-(4-Fluorophenyl)-3-Quinolyl]-3,5-Dihydroxy-6-Heptenoate}

IUPAC Name: calcium (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 147526-32-7
Synonyms: Livalo, Nisvastatin, Itavastatin, Pitavastatin, Pitavastatin calcium, Itavastatin calcium, Livalo (TN), Pitavastatin hemicalcium, Pitavastatin calcium (JAN), 2C25H23FNO4.Ca, NK 104, NK-104, NKS-104, CID5282451, LS-74595, D01862, P 872441, P-872441, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, calcium salt (2:1), (S-(R*,S*-(E)))-, Bis((3R,5S,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate), monocalcium salt

Molecular Formula:	C₅₀H₄₆CaF₂N₂O₈	Molecular Weight:	880.983646 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	12

InChIKey: RHGYHLPFVJEAOC-FFNUKLMVSA-L

• 5-(4-(2-(Methyl(pyridin-2-Yl)amino)ethoxy)benzyl)thiazolidine-2,4-Dione Sodium Salt

IUPAC Name: sodium;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione | CAS Registry Number: 316371-83-2
Synonyms: Rosiglitazone sodium, AK146084

Molecular Formula:	C₁₈H₁₈N₃NaO₃S	Molecular Weight:	379.408589 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: XFOHHIYSRDUSCX-UHFFFAOYSA-M