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501 to 550 of 586 Products/Chemicals (Click for related suppliers)  Page: << Previous 50 Results 1 2 3 4 5 6 7 8 9 10 [11] 12 >> Next 50 Results
• Valnoctamide
IUPAC Name: 2-ethyl-3-methylpentanamide | CAS Registry Number: 4171-13-5
Synonyms: Axiquel, Valmethamide, Nirvanil, Valmetamide, VALNOCTAMIDE, Valoctamidum, Valnoctamidum, Valnoctamida, Ethylmethyl valeramide, Val.meta.mide, Axiquel (TN), 2-Ethyl-3-methylvaleramide, McN-X-181, Valeramide, 2-ethyl-3-methyl-, Valnoctamidum [INN-Latin], Pentanamide, 2-ethyl-3-methyl-, Valnoctamida [INN-Spanish], 2-ethyl-3-methylpentamide, Valnoctamide (USAN/INN), Valnoctamide [USAN:INN]

Molecular Formula: C8H17NOMolecular Weight: 143.226680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QRCJOCOSPZMDJY-UHFFFAOYSA-N

• Valproic Acid
IUPAC Name: 2-propylpentanoic acid | CAS Registry Number: 99-66-1
Synonyms: VALPROIC ACID, 2-Propylpentanoic acid, Depakine, Depakene, Mylproin, Ergenyl, Dipropylacetic acid, Dipropylacetate, Convulex, Valproate, Propylvaleric acid, Myproic Acid, Valproinsaeure, Convulsofin, Depakote, Di-n-propylacetic acid, 2-Propylvaleric acid, Avugane, Depakin, n-Dipropylacetic acid

Molecular Formula: C8H16O2Molecular Weight: 144.211440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NIJJYAXOARWZEE-UHFFFAOYSA-N

• Valproic acid sodium salt
IUPAC Name: sodium 2-propylpentanoate | CAS Registry Number: 1069-66-5
Synonyms: Sodium valproate, Valproate sodium, Depakene, Epilim, Convulex, Eurekene, Labazene, Orfiril, Valerin, Natrium valproat, Selenica, Sodium 2-propylpentanoate, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium, DEPACON

Molecular Formula: C8H15NaO2Molecular Weight: 166.193270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• Valsartan
IUPAC Name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | CAS Registry Number: 137862-53-4
Synonyms: valsartan, Diovan, Exforge, Mixture Name, Diovan Hct, Diovan (TN), Valsartan [USAN:INN], Spectrum_001796, Spectrum2_001120, Spectrum3_001831, Spectrum4_000749, Spectrum5_001582, BSPBio_003501, KBioGR_001078, KBioSS_002289, MLS000759423, MLS001424088, Valsartan (JAN/USAN/INN), SPECTRUM1505209, SPBio_001260

Molecular Formula: C24H29N5O3Molecular Weight: 435.518760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: ACWBQPMHZXGDFX-QFIPXVFZSA-N

• Vardenafil
IUPAC Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one | CAS Registry Number: 224785-90-4
Synonyms: Levitra, VARDENAFIL, LEVITRA, BSPBio_002392, HSDB 7304, STOCK6S-20068, CID110634, DB00862, BAY 38-9456, NCGC00167533-01, LS-111467, VDN, 2-(2-Ethoxy-5-(4-ethylpiperazin-1-yl-1-sulfonyl)phenyl)-5-methyl-7-propyl-3H-imidazo(5,1-f)(1,2,4)triazin-4-one, Piperazine, 1-((3-(1,4-dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethyl-, 1-((3-(3,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)-as-triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethylpiperazine, 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one, 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE

Molecular Formula: C23H32N6O4SMolecular Weight: 488.602980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: SECKRCOLJRRGGV-UHFFFAOYSA-N

• Venlafaxine
IUPAC Name: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol | CAS Registry Number: 93413-69-5
Synonyms: venlafaxine, Elafax, VenlafaxineXR, Venlafaxine ER, Venlafaxine [INN:BAN], Venlafaxinum [INN-Latin], venlafaxine (Effexor), Venlafaxina [INN-Spanish], Spectrum_001671, SpecPlus_000842, Venlafaxine hydrochloride, Venlafaxine [BAN:INN], Spectrum2_000542, Spectrum3_000989, Spectrum4_001115, Spectrum5_001516, BSPBio_002657, KBioGR_001590, KBioSS_002151, DivK1c_006938

Molecular Formula: C17H27NO2Molecular Weight: 277.401780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PNVNVHUZROJLTJ-UHFFFAOYSA-N

• Verapamil
IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile | CAS Registry Number: 52-53-9
Synonyms: VERAPAMIL, Iproveratril, Cordilox, Dilacoran, Isoptimo, Vasolan, Cardibeltin, Dexverapamil, Falicard, Finoptin, Isoptine, Isotopin, Izoptin, Manidon, Calcan, Calan, Verapamil HCl, nchembio.79-comp5, (+-)-Verapamil, Verapamilum [INN-Latin]

Molecular Formula: C27H38N2O4Molecular Weight: 454.601620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SGTNSNPWRIOYBX-UHFFFAOYSA-N

• Verapamil hydrochloride
IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile hydrochloride | CAS Registry Number: 152-11-4
Synonyms: Cardibeltin, Cordilox, Manidon, Verelan, Calan, Cardiabeltin, Cardioprotect, Verapamil HCl, Veroptinstada, Cardiagutt, Durasoptin, Hexasoptin, Veratensin, Berkatens, Calaptin, Corpamil, Dignover, Falicard, Finoptin, Hormitol

Molecular Formula: C27H39ClN2O4Molecular Weight: 491.062560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DOQPXTMNIUCOSY-UHFFFAOYSA-N

• Vinblastine
Synonyms: vinblastine, Vincaleukoblastine, Indole alkaloid, STOCK1N-71217, CHEBI:27375, AIDS002673, AIDS-002673, NSC49842, CID241903, 143-67-9 (SULFATE), NCGC00181127-01, NCI60_004200, LS-187263, C07201, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, VLB

Molecular Formula: C46H58N4O9Molecular Weight: 810.974120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: JXLYSJRDGCGARV-XQKSVPLYSA-N

• Vinorelbine
Synonyms: vinorelbine, Navelbine, Eunades, ANX-530, SDP-012, KW-2307, NCGC00165966-02, methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate, NVB

Molecular Formula: C45H54N4O8Molecular Weight: 778.932260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: GBABOYUKABKIAF-IELIFDKJSA-N

• Vitamin K1
IUPAC Name: 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione | CAS Registry Number: 84-80-0
Synonyms: phytonadione, Phylloquinone, Phytomenadione, Mephyton, Phytylmenadione, Aquamephyton, Kinadion, Konakion, Monodion, Kephton, Aqua mephyton, Phyllochinonum, Phytonadionum, Synthex P, Mono-Kay, VITAMIN K1, Combinal K1, Kativ N, K-Ject, Phyllochinon

Molecular Formula: C31H46O2Molecular Weight: 450.695740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MBWXNTAXLNYFJB-LKUDQCMESA-N

• Voglibose
IUPAC Name: (1S,2S,3R,4S,5S)-5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | CAS Registry Number: 83480-29-9
Synonyms: voglibose, Basen, Glustat, Basen OD, Basen (TN), Ambap5436, Voglibose (JP15/USAN/INN), AO-128, DB04878, TL8005479, D01665, A-71100, (1S,2S,3R,4S,5S)-5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, (1S,2S,3R,4S,5S)-5-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

Molecular Formula: C10H21NO7Molecular Weight: 267.276240 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 8

InChIKey: FZNCGRZWXLXZSZ-CIQUZCHMSA-N

• Voriconazole
IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 137234-62-9
Synonyms: Vfend, Vfend (TN), Pfizer brand of voriconazole, MLS000759464, MLS001424082, Voriconazole (JAN/USAN/INN), Voriconazole [USAN:BAN:INN], Voriconazole [USAN:INN:BAN], DRG-0301, AIDS045515, AIDS-045515, UK-109496, UK-109,496, DB00582, CPD000466350, SAM001246664, SMR000466350, LS-181799, TL8000858, UK 109496

Molecular Formula: C16H14F3N5OMolecular Weight: 349.310470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: BCEHBSKCWLPMDN-MGPLVRAMSA-N

• Warfarin
IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one | CAS Registry Number: 81-81-2
Synonyms: warfarin, Coumafene, Prothromadin, Coumadin, Coumafen, Rattentraenke, Coumefene, Panwarfin, Rodafarin, Brumolin, Kypfarin, Rattunal, Solfarin, Warfarat, Dethmor, Dethnel, Kumader, Maveran, Ratorex, Kumadu

Molecular Formula: C19H16O4Molecular Weight: 308.327940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QTXVAVXCBMYBJW-UHFFFAOYSA-N

• Xanthine
IUPAC Name: 3,7-dihydropurine-2,6-dione | CAS Registry Number: 69-89-6
Synonyms: xanthine, Pseudoxanthine, Isoxanthine, Xanthin, Xanthic oxide, 2,6-dioxopurine, Purine analog, 7H-xanthine, 9H-xanthine, Purine-2,6-diol, 1H-Purine-2,6-diol, 2-Oxohypoxanthine, 2,6-Dihydroxypurine, Xanthine (VAN), nchembio.92-comp4, 9H-Purine-2,6-diol, 2,6(1,3)-Purinedion, USAF CB-17, CCRIS 994, MolMap_000070

Molecular Formula: C5H4N4O2Molecular Weight: 152.110860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-N

• Zaleplon
IUPAC Name: N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide | CAS Registry Number: 151319-34-5
Synonyms: zaleplon, Sonata, Zerene, Sonata (TN), Zaleplon [USAN:INN], DEA No. 2781, Zaleplon (JAN/USAN/INN), MLS000759451, ZAL 846, C17H15N5O, LJC 10846, BB_SC-4140, SKP-1041, AZ-007, LJC-10846, L846, CL-284846, DB00962, LS-8737, CL 284,846

Molecular Formula: C17H15N5OMolecular Weight: 305.333900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: HUNXMJYCHXQEGX-UHFFFAOYSA-N

• Zidovudine
IUPAC Name: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 30516-87-1
Synonyms: zidovudine, Azidothymidine, Retrovir, Combivir, Trizivir, antiviral, Compound S, Aztec, Mixture Name, 3'-Azido-3'-deoxythymidine, AZT Antiviral, Propolis+AZT, azidodeoxythymidine, AZT, Antiviral, Zidovudinum [Latin], 3'-Azidothymidine, AZT (Antiviral), Zidovudina [Spanish], Retrovir (TN), Cpd S

Molecular Formula: C10H13N5O4Molecular Weight: 267.241320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HBOMLICNUCNMMY-XLPZGREQSA-N

• Ziprasidone
IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one | CAS Registry Number: 146939-27-7
Synonyms: Zeldox, ziprazidone, Geodon, Ambap6301, Ziprasidone hydrochloride, Ziprasidone [INN:BAN], C21H21ClN4OS, MLS000759435, Ziprasidone mesylate trihydrate, CHEBI:10119, CID60854, DB00246, CP 88059, CPD000466328, LS-83744, SAM001246607, SMR000466328, CP-88,059, TL8000889, CP 88059-01

Molecular Formula: C21H21ClN4OSMolecular Weight: 412.935640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MVWVFYHBGMAFLY-UHFFFAOYSA-N

• Zoledronic Acid
IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid | CAS Registry Number: 118072-93-8
Synonyms: Zoledronic acid, Zoledronate, Zometa, Aclasta, Reclast, Bisphosphonate 3, Zometa (Novartis), Zoledronic acid [USAN:INN], STOCK1N-71622, CHEBI:46557, Novartis brand of zoledronic acid, CGP 42446, CGP 42446A, CID68740, CGP-42446, NSC721517, (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid, CGP 42'446, CGP-42'446, DB00399

Molecular Formula: C5H10N2O7P2Molecular Weight: 272.089622 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N

• Zolmitriptan
IUPAC Name: (4S)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one | CAS Registry Number: 139264-17-8
Synonyms: zolmitriptan, Zomig, Zomigon, Flezol, AscoTop, Zomig Nasal Spray, Zomig ZMT, Zomig-ZMT, Zolmitriptan [USAN], Spectrum2_000728, MLS000758208, MLS001424172, SPECTRUM1505281, SPBio_000656, CHEBI:10124, C16H21N3O2, CID60857, 311C90, BW-311C90, CPD000449310

Molecular Formula: C16H21N3O2Molecular Weight: 287.356840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ULSDMUVEXKOYBU-ZDUSSCGKSA-N

• Zolpidem
IUPAC Name: N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide | CAS Registry Number: 82626-48-0
Synonyms: zolpidem, Lorex, Ambien, Zolpidemum [Latin], ZOLPIDEM TARTRATE, Zolpidem [INN:BAN], Z103_SIGMA, DEA No. 2783, BSPBio_002278, SPECTRUM1505369, STOCK6S-53875, CID5732, 2C19H21N3O, DB00425, SL-800750, NCGC00095179-01, NCGC00095179-02, NCGC00095179-03, NCGC00095179-04, LS-80196

Molecular Formula: C19H21N3OMolecular Weight: 307.389540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZAFYATHCZYHLPB-UHFFFAOYSA-N

• Zonisamide
IUPAC Name: 1,2-benzoxazol-3-ylmethanesulfonamide | CAS Registry Number: 68291-97-4
Synonyms: zonisamide, Zonegran, Exceglan, Excegram, Excegran, Tremode, Trerief, Zonisamidum [Latin], Zonisamida [Spanish], Excegran (TN), Zonisamide (ZNS), C8H8N2O3S, HSDB 7293, MLS001195632, MLS001306491, Zonisamide (JAN/USAN/INN), AD-810, CI-912, Zonisamide [USAN:BAN:INN:JAN], 1,2-Benzisoxazole-3-methanesulfonamide

Molecular Formula: C8H8N2O3SMolecular Weight: 212.225720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UBQNRHZMVUUOMG-UHFFFAOYSA-N

• Zopiclone
IUPAC Name: [6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate | CAS Registry Number: 43200-80-2
Synonyms: zopiclone, Imovane, Amoban, Zimovane, Amovane, Ximovan, zopiclodura, Eszopiclone, Optidorm, Somnosan, Zimoclone, Zopicalm, Zopicalma, Zorclone, Limovan, Rhovane, Zopitan, Siaten, Zileze, ratio-Zopiclone

Molecular Formula: C17H17ClN6O3Molecular Weight: 388.808280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: GBBSUAFBMRNDJC-UHFFFAOYSA-N

• (+)-N,O-Di-Desmethyl Tramadol
IUPAC Name: 3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol | CAS Registry Number: 144830-18-2
Synonyms: 138853-73-3, Di-N,O-demethyltramadol, SureCN13950721, rac N,O-Didesmethyl Tramadol, (+)-N,O-Didesmethyl Tramadol, CTK8E8492, (+/-)-N,O-Di-Desmethyl Tramadol, FT-0666700, FT-0666703, (1R-cis)-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]-phenol, 3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]-phenol, cis-(+/-)-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol, Phenol, 3-[(1R,2R)-1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, rel-3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol, Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, (1R-cis)-

Molecular Formula: C14H21NO2Molecular Weight: 235.322040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: CJXNQQLTDXASSR-OCCSQVGLSA-N

• (+)-Tramadol hydrochloride
IUPAC Name: (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride | CAS Registry Number: 148229-78-1
Synonyms: tramadol hydrochloride, Bellatram, Contramal, Omnidol, Zumatran, Radol, Tadol, Tramadol HCl, Tramagetic, Tradonal, Tramadex, Tramazac, Dolana, Mabron, Trabar, Tramed, Tramol, Tridol, Tradol-Puren, cis-Tramadol hydrochloride

Molecular Formula: C16H26ClNO2Molecular Weight: 299.836140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PPKXEPBICJTCRU-XMZRARIVSA-N

• (+/-)-3-(aminomethyl)-5-Methylhexanoic Acid
IUPAC Name: 3-(aminomethyl)-5-methylhexanoic acid | CAS Registry Number: 128013-69-4
Synonyms: 3-(aminomethyl)-5-methylhexanoic acid, (+/-)-Pregabalin, 130912-52-6, 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

• (-)-Jasmonic Acid
IUPAC Name: 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid | CAS Registry Number: 6894-38-8
Synonyms: Jasmonic acid, Jasmonate, (-)-Jasmonic acid, ()-Jasmonic acid, nchembio.161-comp3, (+/-)-Jasmonic acid, bmse000525, J2500_SIGMA, CHEBI:18292, (3R,7R)-(?)-Jasmonic acid, 3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid, CMC_7387, TNP00291, CMC_13965, LMFA02020001, CID5281166, NCGC00017349-01, NCGC00142527-01, LS-186703, LS-187405

Molecular Formula: C12H18O3Molecular Weight: 210.269520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZNJFBWYDHIGLCU-HWKXXFMVSA-N

• (2s,3ar,7as)-Octahydro-Indole-2-Carboxylic Acid
IUPAC Name: (2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid | CAS Registry Number: 145438-94-4
Synonyms: (2S,3aR,7aS)-Octahydroindole-2-carboxylic acid, (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid, PubChem15854, SureCN497280, (2S,3AR,7AS)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID, IND085, CTK8C1454, MolPort-003-849-653, ANW-66662, FD7165, AKOS006284740, AKOS015854020, AM84415, AK-29867, KB-206591, L-(2S,3aR,7aS)-Octahydroindole-2-carboxylic Acid, 1H-Indole-2-carboxylic acid, octahydro-, (2S,3aR,7aS)-, (2S,3AR,7AS)-OCTAHYDRO-1H- INDOLE-2-CARBOXYLIC ACID, [2S-(2|A,3a|A,7a|A)]-Octahydro-1H-indole-2-carboxylic Acid

Molecular Formula: C9H15NO2Molecular Weight: 169.220900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CQYBNXGHMBNGCG-CSMHCCOUSA-N

• (3,4-Dihydroxyphenyl)glycol
IUPAC Name: 4-(1,2-dihydroxyethyl)benzene-1,2-diol | CAS Registry Number: 28822-73-3
Synonyms: DOPEG, 3,4-Dihydroxyphenylglycol, Dihydroxyphenylethylene glycol, dl-3,4-Dihydroxyphenylglycol, D9753_SIGMA, DL-3,4-Dihydroxyphenyl glycol, 3,4-Dihydroxyphenylethyleneglycol, CID91528, NSC92532, EINECS 249-260-9, NSC 92532, DL-beta,3,4-Trihydroxyphenethyl alcohol, (1)-4-(1,2-Dihydroxyethyl)pyrocatechol, 1-(3,4-Dihydroxyphenyl)ethane-1,2-diol, 4-(1,2-Dihydroxyethyl)-1,2-benzenediol, ST5437420, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, C05576, DL-alpha,beta,3,4-Tetrahydroxyphenethyl alcohol, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, (.+/-.)-

Molecular Formula: C8H10O4Molecular Weight: 170.162600 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: MTVWFVDWRVYDOR-UHFFFAOYSA-N

• (3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid
IUPAC Name: sodium;(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 155229-75-7
Synonyms: FLUVASTATIN SODIUM, Lescol, Fluvastatin (sodium), 93957-55-2, Fluvastatin sodium salt, Sri-62320, Canef, Fractal, Lipaxan, Vastin, Locol, CHEBI:77602, KS-1062, Lescol XL, XU 62-320, XU-62-320, C24H25FNNaO4, DSSTox_CID_24758, DSSTox_RID_80451, DSSTox_GSID_44758

Molecular Formula: C24H25FNNaO4Molecular Weight: 433.455 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZGGHKIMDNBDHJB-NRFPMOEYSA-M

• (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone
IUPAC Name: 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione | CAS Registry Number: 189028-93-1
Synonyms: 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4S)-2-oxazolidinone, (S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, Ezetimibe Intermediate-5, SureCN1177723, Jsp003882, CTK4D9991, MolPort-005-940-270, ACT07247, AMX10118, ANW-44831, SC3731, ZINC21999755, AKOS015896147, AC-1649, AG-E-37893, RL02399, AK-23669, KB-51840, FT-0648270, ST51053181

Molecular Formula: C20H18FNO4Molecular Weight: 355.359623 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XXSSRSVXDNUAQX-QGZVFWFLSA-N

• (±) Clopidogrel hydrogen sulfate
IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid | CAS Registry Number: 135046-48-9
Synonyms: Clopidogrel hydrogen sulfate, Clopidogrel hydrogensulfate, R-(-)-Clopidogrel Hydrogen Sulfate, SR-25990, PubChem5918, SureCN2307984, AGN-PC-015I9T, CTK8F1338, MolPort-003-983-863, ACN-S002003, ACT04766, ACT06725, AKOS005146215, AC-5597, NCGC00095065-01, NCGC00095065-02, I14-0711, ( inverted exclamation markA) Clopidogrel hydrogensulfate, Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate hydrogen sulfate, methyl (s)-alpha-(2-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4h)-acetate hydrogen sulfate

Molecular Formula: C16H18ClNO6S2Molecular Weight: 419.900220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: FDEODCTUSIWGLK-UHFFFAOYSA-N

• (R)-Bicalutamide
IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)sulfonylpropanamide | CAS Registry Number: 113299-40-4
Synonyms: (R)-Bicalutamide-d4, (R)-Casodex, CTK8F2035, AG-A-07557

Molecular Formula: C18H14F4N2O4SMolecular Weight: 434.398020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: LKJPYSCBVHEWIU-FTFUYGBWSA-N

• (R)-Carvedilol
IUPAC Name: (2R)-1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | CAS Registry Number: 95093-99-5
Synonyms: carvedilol, CID185394

Molecular Formula: C24H26N2O4Molecular Weight: 406.474240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OGHNVEJMJSYVRP-QGZVFWFLSA-N

• (R)-Lansoprazole
IUPAC Name: 2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 138530-94-6
Synonyms: (S)-Lansoprazole, Levolansoprazole, 138530-95-7, (-)-Lansoprazole, Levolansoprazole [INN], SureCN22366, UNII-FB55O16184, CTK8E9750, 1H-Benzimidazole, 2-[(R)-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-, FT-0670722, A807399, UNII-0K5C5T2QPG component MJIHNNLFOKEZEW-VWLOTQADSA-N, 2-[(S)-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole, 2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole, 2-[(S)-[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Molecular Formula: C16H14F3N3O2SMolecular Weight: 369.361470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: MJIHNNLFOKEZEW-VWLOTQADSA-N

• (R)-Warfarin
IUPAC Name: 2-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]chromen-4-one | CAS Registry Number: 5543-58-8
Synonyms: Dextrowarfarin, (R)-()-Warfarin, R-WARFARIN, 1h9z, UC213_SIGMA, EINECS 226-908-9, ZINC00044635, NCGC00165933-01, R-()-3-Acetonybenzyl)-4-hydroxycoumarin, (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone, DL-3-(ALPHA-ACETONYLBENZYL)-4-HYDROXYCOUMARIN,TECH, DL-3-(alpha-ACETONYLBENZYL)-4-HYDROXY COUMARINE, PURE, (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one, R-()-4-Hydroxy-3-(3-oxo-1-phenybutyl)-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, (R)-, 81-81-2, RWF

Molecular Formula: C19H16O4Molecular Weight: 308.327940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QTXVAVXCBMYBJW-OAHLLOKOSA-N

• (S)-(+)-2-Chlorophenylglycine methyl ester hydrochloride
IUPAC Name: methyl (2S)-2-amino-2-(2-chlorophenyl)acetate | CAS Registry Number: 141109-14-0
Synonyms: (S)-(+)-2-Chlorophenylglycine methyl ester, PubChem6252, SureCN5101666, AC-255, ZINC21983015, (S)-2-chlorophenylglycine methyl ester, AM84375, RP25728, AK-45098, KB-04966, L-(+)-2-Chlorophenylglycine methyl ester, FT-0082987, FT-0643322, (S)-Methyl 2-amino-2-(2-chlorophenyl)acetate, S01-0713

Molecular Formula: C9H10ClNO2Molecular Weight: 199.634200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UTWOZNRDJNWTPS-QMMMGPOBSA-N

• (S)-Carvedilol
IUPAC Name: (2S)-1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | CAS Registry Number: 95094-00-1
Synonyms: carvedilol, CID185395

Molecular Formula: C24H26N2O4Molecular Weight: 406.474240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OGHNVEJMJSYVRP-KRWDZBQOSA-N

• (S)-Oxybutynin
IUPAC Name: 4-(diethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate | CAS Registry Number: 119618-22-3
Synonyms: oxybutynin, Esoxybutynin [INN], Lopac-O-2881, MolPort-003-849-740, CID206530, NCGC00015767-01, NCGC00015767-02, NCGC00016583-01, CAS-1508-65-2

Molecular Formula: C22H31NO3Molecular Weight: 357.486440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XIQVNETUBQGFHX-JOCHJYFZSA-N

• (S)-Warfarin
IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one | CAS Registry Number: 5543-57-7
Synonyms: warfarin, Coumafene, Prothromadin, Coumadin, Coumafen, Rattentraenke, Coumefene, Panwarfin, Rodafarin, Brumolin, Kypfarin, Rattunal, Solfarin, Warfarat, Dethmor, Dethnel, Kumader, Maveran, Ratorex, Kumadu

Molecular Formula: C19H16O4Molecular Weight: 308.327940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QTXVAVXCBMYBJW-UHFFFAOYSA-N

• (Z)-Capsaicin
IUPAC Name: (Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide | CAS Registry Number: 25775-90-0
Synonyms: Zucapsaicin, Capsaicin, Civamide, cis-Capsaicin, Civamide (Zucapsaicin), Tocris-0462, Tocris-0463, Zucapsaicin (USAN/INN), Zucapsaicin [USAN:INN], MLS000758306, MLS001423959, UNII-15OX67P384, C18H27NO3, CHEBI:241088, TNP00277, BRN 4261852, ZINC04468952, CID1548942, (Z)-8-Methyl-N-vanillyl-6-nonenamide, NCGC00016441-01

Molecular Formula: C18H27NO3Molecular Weight: 305.411880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YKPUWZUDDOIDPM-VURMDHGXSA-N

• 1'-Hydroxybufuralol
IUPAC Name: 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol | CAS Registry Number: 57704-16-2
Synonyms: MolPort-003-847-773, Ro 037410, Ro 03-7410, (+)-isomer, Ro 03-7410, (-)-isomer, CID162836, Ro 03-7410, Ro 03-7410, (+-)-isomer, NCGC00165923-01, C039685, 2,7-Benzofurandimethanol, alpha2-(((1,1-dimethylethyl)amino)methyl)-alpha7-methyl-

Molecular Formula: C16H23NO3Molecular Weight: 277.358720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: GTYMTYBCXVOBBB-UHFFFAOYSA-N

• 1-(2,4-Difluoro Phenyl)-2-(1H-1,2,4-Triazole-1YL) Ethanone
IUPAC Name: 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone | CAS Registry Number: 86404-63-9
Synonyms: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, 2',4'-DIFLUORO-2-(1H-1,2,4-TRIAZOL-1-YL)ACETOPHENONE, 1-(2,4-DIFLUOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)-ETHANONE, AG-H-48437, 2-(1H-1,2,4-Triazol-1-yl)-2',4'-difluoroacetophenone, 1-(2,4-Difluorobenzoylmethyl)-1H-1,2,4-triazole, F2158-0485, 2',4'-Difluoro-2-(1,2,4-triazole)-1-yl acetophenone, 2',4'-Difluoro-2-(1H-1,2,4-Triazolyl) acetophenone, Ethanone, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-, ZINC04008794, PubChem7481, AC1LBS6W, SureCN76005, ACMC-209q9o, UNII-HXI8R9R915, MLS000681496, 636886_ALDRICH, CHEMBL2063495, MolPort-002-200-359

Molecular Formula: C10H7F2N3OMolecular Weight: 223.178886 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XCHRPVARHBCFMJ-UHFFFAOYSA-N

• 1-(Mercaptomethyl)cyclopropyl acetic acid
IUPAC Name: 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid | CAS Registry Number: 162515-68-6
Synonyms: 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid, 1-(Mercaptomethyl)cyclopropaneacetic Acid, SBB053445, AG-E-12320, 1-(Mercaptomethyl)cyclopropaneaceticacid, 1-(Mercaptomethyl)-Cyclopropaneacetic Acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, 2-[(sulfanylmethyl)cyclopropyl]acetic acid, ACMC-209doh, UNII-1X00T93WYX, KSC174S2B, Jsp003256, CTK0H4920, MolPort-001-767-786, AMX10105, ANW-21999, AKOS006379354, AM84551, MCULE-2805511819, 1-(Mercaptomethyl)cyclopropylacetic acid

Molecular Formula: C6H10O2SMolecular Weight: 146.207400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VFAXPOVKNPTBTM-UHFFFAOYSA-N

• 1-Benzyl-3-hydroxy-1H indazole
IUPAC Name: 1-(phenylmethyl)-2H-indazol-3-one | CAS Registry Number: 2215-63-6
Synonyms: CBMicro_007258, ChemDiv2_000492, 1-Benzyl-1H-indazol-3-ol, Oprea1_122894, Oprea1_591436, MLS001211149, 1H-Indazol-3-ol, 1-benzyl-, STOCK1S-86033, 1-Benzyl-1,2-dihydro-indazol-3-one, EINECS 218-680-4, EINECS 236-138-5, NSC247064, ZINC00238036, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, BAS 01403806, SMR000516810, BIM-0007142.P001, ST5406772, 3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt

Molecular Formula: C14H12N2OMolecular Weight: 224.257880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SXPJFDSMKWLOAB-UHFFFAOYSA-N

• 2,6-Diisopropyl Phenol
IUPAC Name: 2,6-di(propan-2-yl)phenol | CAS Registry Number: 2078-54-8
Synonyms: propofol, Diprivan, Disoprofol, Diisopropylphenol, 2,6-DIISOPROPYLPHENOL, Disoprivan, Propofolum, Dipravan, Fresofol, Ampofol, Aquafol, Recofol, Ivofol, Propofol Abbott, Propofol-Lipuro, Propofol Rovi, Propofol MCT, 2,6-Bis(1-methylethyl)phenol, Propofolum [Latin], Propofol Fresenius

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OLBCVFGFOZPWHH-UHFFFAOYSA-N

• 2-(2,4-Difluoro Phenyl)-1-(1H-1,2,4-Triazole-1YL)-(2,3 Epoxy Propane Methane) Sulfonate
IUPAC Name: 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,3-dihydro-1,2,4-triazole;methanesulfonic acid | CAS Registry Number: 86386-77-8
Synonyms: CTK3E7788, AG-H-48321, A841628, 1-[2-(2,4-Difluorophenyl)-2,3-Epoxypropyl]-1H-1,2,4-Triazole Methanesulfonate;, 2-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-1,3-dihydro-1,2,4-triazole; methanesulfonic acid, 2-[[2-[2,4-bis(fluoranyl)phenyl]oxiran-2-yl]methyl]-1,3-dihydro-1,2,4-triazole; methanesulfonic acid

Molecular Formula: C12H15F2N3O4SMolecular Weight: 335.327006 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: CUJRNWOTYDZZKL-UHFFFAOYSA-N

• 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)- 3-hydroxypropyl)phenyl)-2-propanol
IUPAC Name: (1S)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol | CAS Registry Number: 142569-70-8
Synonyms: SureCN201921, 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol, ANW-45479

Molecular Formula: C29H28ClNO2Molecular Weight: 457.991120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZSHIDKYITZZTLA-NDEPHWFRSA-N

• 2-(2-Bromoethyl)Benzaldehyde
IUPAC Name: 2-(2-bromoethyl)benzaldehyde | CAS Registry Number: 22901-09-3
Synonyms: 2-(2-bromoethyl)benzaldehyde, TPC-I135, CID10656207, I01-1460

Molecular Formula: C9H9BrOMolecular Weight: 213.071160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PHDOYZATHWYOJK-UHFFFAOYSA-N

• 2-(4-Amino-Phenyl)-Ethane Sulfonic Acid Methylamide
IUPAC Name: 2-(4-aminophenyl)-N-methylethanesulfonamide | CAS Registry Number: 98623-16-6
Synonyms: 4-Amino-N-methylbenzeneethanesulfonamide, AGN-PC-00MPUK, SureCN1275321, CTK8C5056, MolPort-009-197-491, ANW-73887, AKOS015920300, RP26824, AK-25288, BR-25288, KB-36561, Benzeneethanesulfonamide, 4-amino-N-methyl-, 2-(4-aminophenyl)-N-methylethanesulfonamide, FT-0648802, W9852

Molecular Formula: C9H14N2O2SMolecular Weight: 214.284660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SDXLSPCIRDEJKT-UHFFFAOYSA-N


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