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Synthèse AptoChem Inc.

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Profile: Synthese AptoChem Inc. specializes in the custom synthesis of stable labeled and radiolabeled reference standards, test articles, pharmaceuticals & their metabolites. We synthesize a wide variety of small molecules and fine chemicals in the milligram to gram scale. Our custom synthesis services include stable labeled compounds, radiolabeled compounds, active pharmaceutical ingredients, drug metabolites and pharmaceutical impurities & analogs. Our products include atorvastatin lactone, beclomethasone 17-monopropionate, benazeprilate, carboxyterfenadine hydrochloride, carboxyterfenadine, carebastine, cilazaprilat, ciprofloxacin-piperazinyl-n-sulfate, clevidipine metabolite and clopidogrelat.

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• Fluorometholone
IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 426-13-1
Synonyms: fluorometholone, Fluormetholone, Oxylone, Flumetholon, Cortilet, Delmeson, Trilcin, Fluoromethalone, FML Liquifilm, Fluormetholonum, Fluor-Op, Neo-Oxylone, Fluormetholon, FML-S Liquifilm, FML Forte, Mixture Name, Prestwick_227, Oxylone (TN), Fluorometolone [DCIT], Fluor-op (TN)

Molecular Formula: C22H29FO4Molecular Weight: 376.461663 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FAOZLTXFLGPHNG-KNAQIMQKSA-N

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

Molecular Formula: C17H18F3NOMolecular Weight: 309.326130 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N

• Flurbiprofen
IUPAC Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid | CAS Registry Number: 5104-49-4
Synonyms: flurbiprofen, Ansaid, Froben, Flugalin, Flubiprofen, Fluriproben, Cebutid, Ocuflur, Ocufen, Anmetarin, Dobrofen, Flurofen, Adofeed, Antadys, Strefen, Yakuban, Novo Flurprofen, Novo-Flurprofen, Nu Flurbiprofen, Nu-Flurbiprofen

Molecular Formula: C15H13FO2Molecular Weight: 244.260923 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SYTBZMRGLBWNTM-UHFFFAOYSA-N

• Fluticasone (propionate)
IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 80474-14-2
Synonyms: Cutivate, Flonase, Flovent, Flixonase, Flixotide, Flusonal, Fluspiral, Flunase, Flutide, atemur, Flutivate, Fluxonal, Inalacor, Rinosone, Trialona, Asmatil, Axotide, Brethal, Fluinol, Skyron

Molecular Formula: C25H31F3O5SMolecular Weight: 500.570850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: WMWTYOKRWGGJOA-CENSZEJFSA-N

• Fluvastatin sodium
IUPAC Name: sodium (E,3S,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 93957-55-2
Synonyms: Lescol, Lescol (TN), FLUVASTATIN SODIUM, Fluvastatin sodium (JAN/USAN), D00892

Molecular Formula: C24H25FNNaO4Molecular Weight: 433.447773 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ZGGHKIMDNBDHJB-VASWWXHQSA-M

• Fluvoxamine maleate
IUPAC Name: (Z)-but-2-enedioic acid; 2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine | CAS Registry Number: 61718-82-9
Synonyms: Luvox, FLUVOXAMINE MALEATE, fluvoxamine, Depromel, Floxyfral, Faverin, Fevarin, Luvox CR, Luvox (TN), Fluvoxamine maleate [USAN], F2802_SIGMA, SME 3110, Fluvoxamine maleate (JAN/USAN), DU23000, SME-3110, MK-264, NSC309469, C15H21F3N2O2.C4H4O4, NSC 309469, NCGC00093897-01

Molecular Formula: C19H25F3N2O6Molecular Weight: 434.406810 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: LFMYNZPAVPMEGP-PIDGMYBPSA-N

• Formoterol
IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide | CAS Registry Number: 73573-87-2
Synonyms: formoterol, FORMOTEROL FUMARATE, Formoterolum [INN-Latin], Formoterol [USAN:INN], HSDB 7287, CID3410, DB00983, NCGC00181126-01, C07805, N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide, (+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide

Molecular Formula: C19H24N2O4Molecular Weight: 344.404860 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: BPZSYCZIITTYBL-UHFFFAOYSA-N

• Fosinopril sodium
IUPAC Name: sodium (2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate | CAS Registry Number: 88889-14-9
Synonyms: Monopril, Fucithalmic, Fosinorm, Fosipres, Fositens, Foziretic, Hiperlex, Tensogard, Dynacil, Fosinil, Fositen, Eliten, Newace, Sapril, Staril, Tenso Stop, Acenor-M, FOSINOPRIL SODIUM, Monopril (TN), Fosinopril sodium salt

Molecular Formula: C30H45NNaO7PMolecular Weight: 585.644331 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: TVTJZMHAIQQZTL-HREVRLCXSA-M

• Frusemide
IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid | CAS Registry Number: 54-31-9
Synonyms: furosemide, Lasix, Furanthril, Furosemid, Fursemide, Errolon, Fusid, Fuluvamide, Furanthryl, Macasirool, Furantril, Lowpstron, Aisemide, Beronald, Desdemin, Frusemid, Frusemin, Fursemid, Prefemin, Rosemide

Molecular Formula: C12H11ClN2O5SMolecular Weight: 330.744140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

• Gabapentin
IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid | CAS Registry Number: 60142-96-3
Synonyms: gabapentin, Neurontin, Gabapetin, Gabapentine, Aclonium, Gabapentin GR, Gabapen, Novo-Gabapentin, Apo-Gabapentin, Gabapentin Hexal, Gabapentin Stada, PMS-Gabapentin, Gabapentino [Spanish], Neurontin (TN), Prestwick_151, Gabapentin-ratiopharm, Gabapentine [INN-French], Gabapentinum [INN-Latin], Gabapentino [INN-Spanish], gabapentin (Neurontin)

Molecular Formula: C9H17NO2Molecular Weight: 171.236780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UGJMXCAKCUNAIE-UHFFFAOYSA-N

• Galanthamine
Synonyms: galanthamine, Galantamine, Lycoremin, Jilkon, (-)-Galanthamine, Galanthaminum, Galantamin, Lycoremine, Reminyl, Nivaline, Razadyne, Nivalin, Razadyne ER, 1qti, Reminyl (TN), Galantamine [USAN:INN], Spectrum_001271, 1dx6, Galantaminum [INN-Latin], Galanthamine hydrobromide

Molecular Formula: C17H21NO3Molecular Weight: 287.353540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ASUTZQLVASHGKV-JDFRZJQESA-N

• Gallic acid
IUPAC Name: 3,4,5-trihydroxybenzoic acid | CAS Registry Number: 149-91-7
Synonyms: gallate, 3,4,5-Trihydroxybenzoic acid, Gallic acid, tech., Acid, Gallic, Gallic acid, tech, Gallic acid polymer, GALOP, Pyrogallol-5-carboxylic acid, 3,4,5-Trihydroxybenzoate, Benzoic acid, 3,4,5-trihydroxy-, Gallic acid monohydrate, Kyselina gallova [Czech], Spectrum_000342, SpecPlus_000307, Spectrum2_000399, Spectrum3_000254, Spectrum4_001544, Spectrum5_000108, CCRIS 5523, HSDB 2117

Molecular Formula: C7H6O5Molecular Weight: 170.119540 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N

• Ganciclovir
IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one | CAS Registry Number: 82410-32-0
Synonyms: ganciclovir, Cytovene, Vitrasert, Gancyclovir, Hydroxyacyclovir, Citovirax, Cymevene, DHPG, Cymevan, Cymeven, Virgan, HHEMG, Vitrasert (TN), Biolf 62, Cytovene (TN), Ganciclovirum [Latin], nchembio.87-comp3, Prestwick_1068, GANCICLOVIR SODIUM, 2'-Nor-2'-deoxyguanosine

Molecular Formula: C9H13N5O4Molecular Weight: 255.230620 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: IRSCQMHQWWYFCW-UHFFFAOYSA-N

• Gatifloxacin
IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 112811-59-3
Synonyms: Tequin, Gatiflo, Zymar, Gatiquin, Gatispan, Gatilox, Bonoq, Gaity, Quinolone der., GTFX, Spectrum_001909, Spectrum2_000487, Spectrum3_000999, Spectrum4_001127, Spectrum5_001468, Gatifloxacin [USAN:INN], BSPBio_002697, KBioGR_001613, KBioSS_002448, MLS000040259

Molecular Formula: C19H22FN3O4Molecular Weight: 375.394083 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: XUBOMFCQGDBHNK-UHFFFAOYSA-N

• Gemcitabine
IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 95058-81-4
Synonyms: gemcitabine, dFdC, Gemzar, nchembio.90-comp2, DDFC, Gemzar (hydrochloride), Gemcitabine stereoisomer, Gemcitabine (USAN/INN), 2',2'-Difluorodeoxycytidine, Gemcitabinum [INN-Latin], Gemcitabina [INN-Spanish], Inno-D07001, 2',2'-DiF-dC, Gemcitabine [USAN:BAN:INN], CCRIS 8984, 2'-Deoxy-2',2'-difluorocytidine, NChemBio.2007.10-comp25, AIDS001419, AIDS-001419, CID60750

Molecular Formula: C9H11F2N3O4Molecular Weight: 263.198146 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: SDUQYLNIPVEERB-QPPQHZFASA-N

• Gentamicin
IUPAC Name: 2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol | CAS Registry Number: 1403-66-3
Synonyms: gentamicin, Gentamycinum, Gentacycol, Gentamicins, Cidomycin, Garamycin, Gentavet, Gentocin, Refobacin, Uromycine, Garasol, Refobacin TM, Gentamicin C1, GENTAMYCIN, Gentamicine [INN-French], Gentamicinum [INN-Latin], Gentamycin-creme [German], Gentamicina [INN-Spanish], HSDB 3087, EINECS 215-765-8

Molecular Formula: C21H43N5O7Molecular Weight: 477.595420 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 12

InChIKey: CEAZRRDELHUEMR-UHFFFAOYSA-N

• Glibenclamide
IUPAC Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide | CAS Registry Number: 10238-21-8
Synonyms: glyburide, Glybenclamide, Micronase, Diabeta, Neogluconin, Maninil, Daonil, Praeciglucon, Bastiverit, Duraglucon, Gewaglucon, Glibenbeta, Glucohexal, Glucoremed, Hexaglucon, Lisaglucon, Normoglucon, Azuglucon, Benclamin, Betanase

Molecular Formula: C23H28ClN3O5SMolecular Weight: 494.003520 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ZNNLBTZKUZBEKO-UHFFFAOYSA-N

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

Molecular Formula: C15H21N3O3SMolecular Weight: 323.410540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BOVGTQGAOIONJV-UHFFFAOYSA-N

• Granisetron
IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide | CAS Registry Number: 109889-09-0
Synonyms: granisetron, Granisetron (USAN/INN), CID5284566, C07023, D04370, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

Molecular Formula: C18H24N4OMolecular Weight: 312.409360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MFWNKCLOYSRHCJ-AGUYFDCRSA-N

• Haloperidol
IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one | CAS Registry Number: 52-86-8
Synonyms: haloperidol, Haldol, Aloperidol, Eukystol, Aloperidin, Aloperidolo, Galoperidol, Halopoidol, Serenelfi, Brotopon, Serenace, Halojust, Serenase, Ulcolind, Uliolind, Vesalium, Halopal, Mixidol, Linton, Pernox

Molecular Formula: C21H23ClFNO2Molecular Weight: 375.864223 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LNEPOXFFQSENCJ-UHFFFAOYSA-N

• Hecogenin,Acetate
Synonyms: Hecogenin acetate, HECOGENIN, ACETATE, Oprea1_705613, NSC15489, CID225767, Spirostan-12-one, 3-(acetyloxy)-, (3.beta.,5.alpha.,25R)-, 5.alpha.-Spirostan-12-one, 3.beta.-hydroxy-, acetate, (25R)-

Molecular Formula: C29H44O5Molecular Weight: 472.656660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: CVKZWRTYHCDWTE-UHFFFAOYSA-N

• Hoechst 33258 trihydrochloride
IUPAC Name: 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one hydrochloride | CAS Registry Number: 23491-45-4
Synonyms: Hoechst #33258, bis-BENZIMIDE H-33258, CID5491656, CID 5491656, LT00645615, 2-[2-(4-Hydroxyphenyl)-6-benzimidazoyl]-6-[1-methyl-4-piperazyl]benzimidazole, 32089-25-1

Molecular Formula: C25H25ClN6OMolecular Weight: 460.958600 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: SCTJEMDEQWSWBN-UHFFFAOYSA-N

• Hydrochlorothiazide
IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide | CAS Registry Number: 58-93-5
Synonyms: hydrochlorothiazide, Esidrix, Hypothiazide, Esidrex, Oretic, Dichlotiazid, Hidrotiazida, Hydrodiuretic, Hydrosaluric, Servithiazid, Dichlotride, Diclotride, Hypothiazid, Idrotiazide, Megadiuril, Aquarills, Disalunil, Newtolide, Thiuretic, Aquarius

Molecular Formula: C7H8ClN3O4S2Molecular Weight: 297.739120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

• Hydrocortisone
IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 50-23-7
Synonyms: hydrocortisone, Cortisol, Cortef, Acticort, Cetacort, Hytone, Dihydrocostisone, Hydrocortisyl, Hydrocortone, Corticreme, Cortispray, Efcortelan, Cortenema, Cortiment, Cortonema, Dermacort, Dermolate, Ficortril, Hycortole, Hydrasson

Molecular Formula: C21H30O5Molecular Weight: 362.459900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: JYGXADMDTFJGBT-VWUMJDOOSA-N

• Hydroxybupropion
IUPAC Name: 1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one | CAS Registry Number: 92264-81-8
Synonyms: 1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one, 1-Propanone, 1-(3-chlorophenyl)-2-((2-hydroxy-1,1-dimethylethyl)amino)-, (+-)-, 1-propanone, 1-(3-chlorophenyl)-2-((2-hydroxy-1,1-dimethylethyl)amino)-,(+-)-, 82793-84-8, AC1Q5DFB, SureCN1226857, CTK3E8421, HMDB12235, BW 306U, AC1L1994, B.W.306U, BW-306-U, AR-1C5518, AG-J-41009, FT-0627142

Molecular Formula: C13H18ClNO2Molecular Weight: 255.740520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AKOAEVOSDHIVFX-UHFFFAOYSA-N

• Hydroxycamptothecin
Synonyms: CHEBI:107427, PubChem13091, AC1N7NVD, Neuro_000051, AGN-PC-001FGE, SureCN9384413, Bio-0126, H3148_FLUKA, H3148_SIGMA, AKOS015901897, TL8000524, N1591, I14-1454, S06-0011, (+/-)-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLINE-3,14(4H,12H)-DIONE

Molecular Formula: C20H16N2O5Molecular Weight: 364.351440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HAWSQZCWOQZXHI-UHFFFAOYSA-N

• Î±-Vitamin E
IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol | CAS Registry Number: 59-02-9
Synonyms: alpha-Tocopherol, VITAMIN E, Ephanyl, Phytogermine, Waynecomycin, Viteolin, Eprolin, Vitaped, Esorb, Aquasol E, Mvc Plus, Pheryl-E, Vita plus E, ido-E, Vitamin- E, D-alpha-Tocopherol, Prestwick_653, (+)-alpha-Tocopherol, Tocopherol (R,S), M.V.I. Pediatric

Molecular Formula: C29H50O2Molecular Weight: 430.706100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GVJHHUAWPYXKBD-IEOSBIPESA-N

• Ibandronic acid
IUPAC Name: [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid | CAS Registry Number: 114084-78-5
Synonyms: Ibandronate, Ibandronic Acid, Bondronat, Bonviva, Boniva, Bisphosphonate 2, IBANDRONATE SODIUM, Ibandronic acid [BAN:INN], Ibandronic acid [INN:BAN], Ibandronate sodium monohydrate, AIDS257673, AIDS-257673, CID60852, RPR 102289A, RPR-102289A, DB00710, DB04635, ibandronic acid, sodium salt, monohydrate, R484, BM 210955

Molecular Formula: C9H23NO7P2Molecular Weight: 319.228942 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: MPBVHIBUJCELCL-UHFFFAOYSA-N

• Ibuprofen
IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 15687-27-1
Synonyms: ibuprofen, Motrin, Brufen, Andran, Liptan, Nuprin, Advil, Butylenin, Ibuprocin, Anflagen, Buburone, Ibumetin, Medipren, Nobfelon, Lamidon, Pantrop, Rebugen, Dolgit, Ebufac, Rufen

Molecular Formula: C13H18O2Molecular Weight: 206.280820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N

• Imatinib
IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 152459-95-5
Synonyms: Glivec, Gleevec, Imatinib mesylate, 1iep, 1xbb, sti-571, nchembio.83-comp14, Imatinib [INN:BAN], Imatinib Methansulfonate, nchembio.117-comp23, STI 571, Cgp 57148, CGP 57148B, CCRIS 9076, STI571, STOCK6S-47743, CHEBI:45783, CID5291, DB00619, DB03261

Molecular Formula: C29H31N7OMolecular Weight: 493.602740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

• Imipenem monohydrate
IUPAC Name: (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate | CAS Registry Number: 74431-23-5
Synonyms: imipenem, Imipenem hydrate, Imipemide, Tienam, Imipenem (USP), Imipenem hydrate (JP15), CHEBI:51799, N-formimidoyl thienamycin monohydrate, MK-0787, D00206, (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--water (1/1), IPM

Molecular Formula: C12H19N3O5SMolecular Weight: 317.361360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: GSOSVVULSKVSLQ-JJVRHELESA-N

• Indapamide
IUPAC Name: 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide | CAS Registry Number: 26807-65-8
Synonyms: indapamide, Lozol, Indaflex, Natrilix, Pressurai, Tertensif, Bajaten, Indamol, Noranat, Veroxil, Arifon, Cormil, Damide, Fludex, Ipamix, Tandix, Metindamide, Natrix, Indapamide (USP), Natrix (TN)

Molecular Formula: C16H16ClN3O3SMolecular Weight: 365.834540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NDDAHWYSQHTHNT-UHFFFAOYSA-N

• Indomethacin
IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid | CAS Registry Number: 53-86-1
Synonyms: indomethacin, indometacin, Indocin, Indometacine, Indomethacinum, Indomethazine, Imbrilon, Metindol, Tannex, Indomethacine, Artrinovo, Confortid, Idomethine, Indomecol, Metartril, Methazine, Mikametan, Reumacide, Artracin, Artrivia

Molecular Formula: C19H16ClNO4Molecular Weight: 357.787640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-N

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

Molecular Formula: C19H26I3N3O9Molecular Weight: 821.137850 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 9

InChIKey: NTHXOOBQLCIOLC-UHFFFAOYSA-N

• Ioxilan
IUPAC Name: 5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide | CAS Registry Number: 107793-72-6
Synonyms: ioxilan, Oxilan, Imagenil, Ioxilane, Ioxilanum, Ioxitol, Oxilan-300, Oxilan-350, Ioxilane [INN-French], Ioxilanum [INN-Latin], Oxilan-300 (TN), UNII-A4YJ7J11TG, Ioxilan (JAN/USP/INN), CCRIS 6727, CID3743, MOLI000985, LS-29720, D02161, 1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N-(2,3-dihydroxypropyl)-N'-(2-hydroxyethyl)-2,4,6-triiodo-, 5-(N-2,3-dihydroxypropylacetamido)-2,4,6-triiodo-N-(2-hydroxyethyl)-N -(2,3-dihydroxypropyl)-isophthalamide

Molecular Formula: C18H24I3N3O8Molecular Weight: 791.111870 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 8

InChIKey: UUMLTINZBQPNGF-UHFFFAOYSA-N

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

Molecular Formula: C25H28N6OMolecular Weight: 428.529420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YOSHYTLCDANDAN-UHFFFAOYSA-N

• Irinotecan hydrochloride trihydrate
Synonyms: Camptosar, Campto, Campto (TN), Irinotecan hydrochloride, CPT 11, CPT-11, Irinotecan hydrochloride hydrate, Irinotecan hydrochloride (USAN), Irinotecan hydrochloride [USAN:JAN], C35H41N3O5.3H2O.HCl, Irinotecan hydrochloride hydrate (JAN), IRINOTECAN HYDROCHLORIDE Trihydrate, LS-44590, D01061, (+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate, (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, trihydrate, (S)-, (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride,trihydrate, (S)-

Molecular Formula: C33H45ClN4O9Molecular Weight: 677.184800 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: KLEAIHJJLUAXIQ-JDRGBKBRSA-N

• Isoniazid
IUPAC Name: pyridine-4-carbohydrazide | CAS Registry Number: 54-85-3
Synonyms: isoniazid, Nicotibina, Andrazide, Cotinazin, Dinacrin, Hydrazid, Laniazid, Neoteben, Nicizina, Nicozide, Nydrazid, Pycazide, Ditubin, Iscotin, Isonicotinohydrazide, Mybasan, Niconyl, Rimifon, Isolyn, Isonex

Molecular Formula: C6H7N3OMolecular Weight: 137.139280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QRXWMOHMRWLFEY-UHFFFAOYSA-N

• Isonicotinic acid
IUPAC Name: pyridine-4-carboxylic acid | CAS Registry Number: 55-22-1
Synonyms: ISONICOTINIC ACID, 4-Carboxypyridine, 4-Picolinic acid, 4-Pyridinecarboxylic acid, gamma-Picolinic acid, isonicotonic acid, p-Pyridinecarboxylic acid, Pyridine-4-carboxylic acid, gamma-Pyridinecarboxylic acid, .gamma.-Picolinic acid, 1,4-Dihydroisonicotinic acid, Biomol-NT_000289, Acide iso-nicotinique [French], Oprea1_749724, I17508_ALDRICH, BPBio1_001365, CHEBI:6032, NSC 1483, 58930_FLUKA, EINECS 200-228-2

Molecular Formula: C6H5NO2Molecular Weight: 123.109400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TWBYWOBDOCUKOW-UHFFFAOYSA-N

• Isosorbide Mononitrate
IUPAC Name: [(3R,3aS,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate | CAS Registry Number: 16051-77-7
Synonyms: Monosorbitrate, Imdur, vasotrate, Monosordil, Corangin, Epicordin, Etimonis, Isomonat, Isomonit, Monoclair, Monolong, Monopront, Monotrate, Multitab, Nitramin, Olicardin, Orasorbil, Percorina, Promocard, Sigacora

Molecular Formula: C6H9NO6Molecular Weight: 191.138760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YWXYYJSYQOXTPL-SLPGGIOYSA-N

• Isradipine
IUPAC Name: 5-O-methyl 3-O-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 75695-93-1
Synonyms: isradipine, DynaCirc, Lomir, Isradipin, Isrodipine, Esradin, Prescal, Clivoten, Dynacirc CR, Dynacrine, Rebriden, DynaCire, Icaz, (+-)-Isradipine, Isradipinum [Latin], Isradipino [Spanish], DynaCire CR, (+/-)-Isradipine, DynaCirc (TN), Spectrum_000218

Molecular Formula: C19H21N3O5Molecular Weight: 371.387140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: HMJIYCCIJYRONP-UHFFFAOYSA-N

• Itraconazole
IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one | CAS Registry Number: 84625-61-6
Synonyms: itraconazole, Oriconazole, Sporanox, Intraconazole, Itrizole, Itrizole (TN), Sporanox (TN), ITCZ, Itraconazol [Spanish], Itraconazolum [Latin], Itraconazole & Nyotran, Itraconazole (JAN/USAN), CHEBI:6076, Itraconazole & Bovine Lactoferrin, AIDS007334, AIDS093050, AIDS121432, AIDS-007334, AIDS-093050, AIDS-121432

Molecular Formula: C35H38Cl2N8O4Molecular Weight: 705.633420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: VHVPQPYKVGDNFY-ZPGVKDDISA-N

• Ketorolac
IUPAC Name: 5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | CAS Registry Number: 74103-06-3
Synonyms: ketorolac, Ketoralac, Ketorolacum [Latin], Ketorolaco [Spanish], (+-)-Ketorolac, Ketorolac (old RN), Ketorolac tromethamine, (+-)-isomer, Ketorolac [INN:BAN], C15H13NO3, CID3826, RS 37619, DB00465, RS-37619, LS-139094, AB00053682, C07062, D020910, (+-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid, 1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (+-)-

Molecular Formula: C15H13NO3Molecular Weight: 255.268620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OZWKMVRBQXNZKK-UHFFFAOYSA-N

• Ketotifen fumarate
Synonyms: Zaditen, KETOTIFEN FUMARATE, Zaditor, Alaway, Prestwick_743, Zaditen (TN), Ketotifen fumarate salt, HC 20,511 fumarate, Ketotifen hydrogen fumarate, Ketotifen fumarate [USAN:JAN], MLS000069701, MLS000758236, MLS001148200, MLS001401421, K2628_SIGMA, SPECTRUM1500668, C19H21NOS.C4H4O4, EINECS 252-100-0, Ketotifen Fumarate (JP15/USAN), NCGC00094057-01

Molecular Formula: C23H23NO5SMolecular Weight: 425.497420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YNQQEYBLVYAWNX-WLHGVMLRSA-N

• L-Ascorbic acid
IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one | CAS Registry Number: 50-81-7
Synonyms: ascorbic acid, l-ascorbic acid, vitamin C, Ascorbicap, ascorbate, L-ascorbate, Ascoltin, Ascorbutina, Laroscorbine, Testascorbic, Vitascorbol, Allercorb, Ascorbajen, Ascorteal, Cescorbat, Cetemican, Cevitamin, Citriscorb, Lemascorb, Natrascorb

Molecular Formula: C6H8O6Molecular Weight: 176.124120 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: TYQCGQRIZGCHNB-JLAZNSOCSA-N

• L-Carnitine
IUPAC Name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate | CAS Registry Number: 541-15-1
Synonyms: L-carnitine, Levocarnitine, Carnitine, vitamin BT, Carnitor, (R)-Carnitine, (-)-Carnitine, Carnitene, Karnitin, bicarnesine, (-)-L-Carnitine, Carniking, Carnilean, Carnitolo, Carnovis, Carrier, Lefcar, Metina, (S)-carnitine, L-(-)-Carnitine

Molecular Formula: C7H15NO3Molecular Weight: 161.198900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N

• L-DOPA
IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid | CAS Registry Number: 59-92-7
Synonyms: levodopa, L-dopa, Dopar, Brocadopa, Cidandopa, Insulamina, Maipedopa, Dopaidan, Dopalina, Larodopa, Bendopa, Deadopa, Dopasol, Eldopal, Eldopar, Pardopa, Prodopa, Syndopa, Levopa, Dopa

Molecular Formula: C9H11NO4Molecular Weight: 197.187940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: WTDRDQBEARUVNC-LURJTMIESA-N

• L-Glutathione reduced
IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid | CAS Registry Number: 70-18-8
Synonyms: glutathione, Tathion, Deltathione, Glutathion, Glutinal, Isethion, Tathione, Glutide, reduced glutathione, Copren, L-Glutathione, Glutathione-SH, Neuthion, Triptide, Agifutol S, Glutatione, Glutatiol, Panaron, glutathione red, Ledac

Molecular Formula: C10H17N3O6SMolecular Weight: 307.323480 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: RWSXRVCMGQZWBV-WDSKDSINSA-N

• L-Thyroxine
IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid | CAS Registry Number: 51-48-9
Synonyms: L-thyroxine, levothyroxine, thyroxine, synthroid, thyroxin, Thyroxine iodine, Levothyroxin, Thyreoideum, Thyratabs, Thyroxinal, Thyrax, Tetraiodothyronine, Thyroxine (l), L-Thyroxin, (-)-Thyroxine, Thryroxine, l-, Laevothyroxinum, Thyroxine (VAN), DL-Thyroxin, Tetramet

Molecular Formula: C15H11I4NO4Molecular Weight: 776.870020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-N

• Lacidipine
IUPAC Name: diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 103890-78-4
Synonyms: Motens, Caldine, Lacipil, Lacirex, Viapres, Lacidipinum [Latin], Lacidipino [Spanish], Motens (TN), Ambap2530, Lacidipine (USAN/INN), Lacidipine [USAN:BAN:INN], MLS000759454, MLS001424282, C26H33NO6, GR-43659X, GR 43659 X, GR 43659X, SN-305, GX-1048, CPD000466342

Molecular Formula: C26H33NO6Molecular Weight: 455.543320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: GKQPCPXONLDCMU-CCEZHUSRSA-N


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