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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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• Tacrine
IUPAC Name: 1,2,3,4-tetrahydroacridin-9-amine | CAS Registry Number: 321-64-2
Synonyms: Tetrahydroaminacrine, Tetrahydroaminocrin, Tetrahydroaminocrine, Tenakrin, Romotal, Cognex, Tetrahydroaminoacridine, 2aow, 2aox, Tacrinum [INN-Latin], Tacrina [INN-Spanish], Tacrine [INN:BAN], Spectrum_000416, Tocris-0965, 1mx1, Prestwick0_000329, Prestwick1_000329, Prestwick2_000329, Prestwick3_000329, Spectrum2_001812

Molecular Formula: C13H14N2Molecular Weight: 198.263660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YLJREFDVOIBQDA-UHFFFAOYSA-N

• Tacrolimus
Synonyms: tacrolimus, Prograf, Advagraf, Fujimycin, Graceptor, Modigraf, Protopic, Protopy, LCP-Tacro, Ambap5429, Fk-506, BSPBio_001279, MLS000759471, NChemBio.2007.16-comp1, FK506, FK 506, LMPK01000002, FR-900506, IDI1_001040, NCGC00163470-01

Molecular Formula: C44H69NO12Molecular Weight: 804.018160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N

• Tadalafil
Synonyms: Cialis, Tadanafil, 1xoz, Tadalafil [USAN], Cialis (TN), ICOS 351, Ic351, HSDB 7303, MLS000759426, MLS001165782, MLS001195644, MLS001424132, Tadalafil (JAN/USAN/INN), IC 351, CID110635, IC-351, DB00820, GF 196960, KS-1117, CPD000466321

Molecular Formula: C22H19N3O4Molecular Weight: 389.403960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WOXKDUGGOYFFRN-IIBYNOLFSA-N

• Tamoxifen
IUPAC Name: 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine | CAS Registry Number: 10540-29-1
Synonyms: tamoxifen, trans-Tamoxifen, Nolvadex, Tamoxifen citrate, Crisafeno, Citofen, Istubol, Oncomox, Retaxim, Tamizam, Tamoxen, Valodex, Diemon, Tomaxithen, Zitazonium, Novaldex, Soltamox, ,citrate, Tamoxifen (Z), nchembio.76-comp1

Molecular Formula: C26H29NOMolecular Weight: 371.514560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

• Taribavirin
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide | CAS Registry Number: 119567-79-2
Synonyms: Ribamidine, Viramidine, Ribavirin amidine, Prodrug of Ribavirin, ICN 3142, AIDS000198, AIDS-000198, 40372-00-7 (HYDROCHLORIDE), NSC627433 (HYDROCHLORIDE SALT), 1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboximidine, 1-.Beta.-D-Ribofuranosyl-1,2,4-triazole-3-carboximidine hydrochloride, 1H-1,2,4-Triazole-3-carboximidamide, 1-beta-D-ribofuranosyl-, 132425-32-2

Molecular Formula: C8H13N5O4Molecular Weight: 243.219920 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: NHKZSTHOYNWEEZ-AFCXAGJDSA-N

• Tegaserod maleate
IUPAC Name: (E)-but-2-enedioic acid; 1-[[(Z)-[5-(hydroxymethyl)indol-3-ylidene]methyl]amino]-2-pentylguanidine | CAS Registry Number: 189188-57-6
Synonyms: Zelnorm, Zelmac, Tagaserod maleate, Tegaserod maleate[USAN], Tegaserod maleate [USAN], SDZ-HTF 919, HTF 919, LS-186567, 3-(5-Methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide hydrogen maleate, Hydrazinecarboximidamide, 2-((5-methoxy-1H-indol-3-yl)methylene)-N-pentyl-, (2Z)-2-butenedioate (1:1), 145158-71-0

Molecular Formula: C20H27N5O5Molecular Weight: 417.458880 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: PINGCSUEYQYSEB-GFQXDJOGSA-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

• Temozolomide
IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | CAS Registry Number: 85622-93-1
Synonyms: temozolomide, Methazolastone, Temodal, Temodar, Temozolamide, Temozolomidum [Latin], Temozolodida [Spanish], Temodal (TN), Temozolomide [BAN:INN], Temozolomide [INN:BAN], Essex brand of temozolomide, CCRG 81045, CCRG-81045, Sch 52365, MLS000759447, MLS001424028, Schering brand of temozolomide, C6H6N6O2, CCRIS 8996, Temozolomide (JAN/USAN/INN)

Molecular Formula: C6H6N6O2Molecular Weight: 194.150840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

• Teniposide
IUPAC Name: (5R,5aR)-9-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one | CAS Registry Number: 29767-20-2
Synonyms: teniposide, CID5284623, (8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(2-thienylmethylidene)-beta-D-glucopyranoside

Molecular Formula: C32H32O13SMolecular Weight: 656.653680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: NRUKOCRGYNPUPR-NFIYYIGVSA-N

• Tenofovir
IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid | CAS Registry Number: 147127-20-6
Synonyms: Apropovir, D,L-Tenofovir, PMPA, GNA & Tenofovir, HHA & Tenofovir, Tenofovir disoproxil, (R)-PMPA, 9-PMPA, PMPA-(R), Tenofovir Disoproxil Fumarate, AIDS021800, AIDS224015, AIDS224022, AIDS-021800, AIDS-224015, AIDS-224022, CID464205, GS1278, DB00300, GS-1278

Molecular Formula: C9H14N5O4PMolecular Weight: 287.212321 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: SGOIRFVFHAKUTI-ZCFIWIBFSA-N

• Terazosin
IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone | CAS Registry Number: 63590-64-7
Synonyms: terazosin, Terazosine, Fosfomic, Flumarc, Vasomet, Blavin, Hytrin, Terazosin HCl, Trazosin HCl, Terazosin hydrochloride, Terazosine [INN-French], Terazosinum [INN-Latin], Terazosina [INN-Spanish], Terazosin [INN:BAN], Abbott 45975, Prestwick0_000751, Prestwick1_000751, Prestwick2_000751, Prestwick3_000751, Lopac0_001138

Molecular Formula: C19H25N5O4Molecular Weight: 387.432900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: VCKUSRYTPJJLNI-UHFFFAOYSA-N

• Terbutaline
IUPAC Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol | CAS Registry Number: 23031-25-6
Synonyms: terbutaline, Terbutalin, Bricaril, Brican, Bricar, Bricyn, Brethaire, Brethine, Bricanyl, Terbutalina [DCIT], (+-)-Terbutaline, Terbutaline sulfate, Terbutalinum [INN-Latin], Terbutalino [INN-Spanish], Spectrum_001030, Terbutaline [INN:BAN], Prestwick0_000391, Prestwick1_000391, Prestwick2_000391, Prestwick3_000391

Molecular Formula: C12H19NO3Molecular Weight: 225.284160 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: XWTYSIMOBUGWOL-UHFFFAOYSA-N

• Terfenadine
IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butan-1-ol | CAS Registry Number: 50679-08-8
Synonyms: terfenadine, Seldane, Ternadin, Triludan, Teldane, Allerplus, Nebralin, Teldanex, Aldaban, Terdin, Terfen, Terestigmine, Terfenidine, Seldane-D, Prestwick_460, Seldane (TN), Terfenadinum [INN-Latin], Terfenadina [INN-Spanish], Prestwick0_000138, Prestwick1_000138

Molecular Formula: C32H41NO2Molecular Weight: 471.673440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GUGOEEXESWIERI-UHFFFAOYSA-N

• Terlipressin
IUPAC Name: (2S)-1-[(1R,4S,7S,10S,13S,16R)-16-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-4-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-13-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-10-(phenylmethyl)-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide | CAS Registry Number: 14636-12-5
Synonyms: Terlipressin [BAN:INN], Terlipressine [INN-French], Terlipressinum [INN-Latin], Terlipressina [INN-Spanish], EINECS 238-680-8, CID72081, DB02638, LS-161411, N-(N-(N-Glycylglycyl)glycyl)-8-L-lysinevasopressin, (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

Molecular Formula: C52H74N16O15S2Molecular Weight: 1227.372160 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 17

InChIKey: BENFXAYNYRLAIU-QSVFAHTRSA-N

• Theophylline
IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione | CAS Registry Number: 58-55-9
Synonyms: theophylline, Elixophyllin, Theophyllin, Theolair, Theocin, Nuelin, Synophylate, Bronkodyl, Aerolate, Theovent, Respbid, Theobid, Uniphyl, 1,3-Dimethylxanthine, Pseudotheophylline, aminophylline, Slo-phyllin, Elixophylline, Liquophylline, Armophylline

Molecular Formula: C7H8N4O2Molecular Weight: 180.164020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N

• Thiamine monochloride
IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride | CAS Registry Number: 59-43-8
Synonyms: thiamin, thiamine, Vitaneurin, Aneurine, Betabion, Bethiamin, Oryzanin, Oryzanine, Beivon, Apatate drape, vitamin B1, Thiamine, chloride, B-Amin, Thiaminum [INN-Latin], Tiamina [INN-Spanish], Thiamine [INN:BAN], thiamine(1+) chloride, Thiamine monohydrochloride, CCRIS 5823, HSDB 220

Molecular Formula: C12H17ClN4OSMolecular Weight: 300.807580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MYVIATVLJGTBFV-UHFFFAOYSA-M

• Thiocolchicoside
IUPAC Name: N-[1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide | CAS Registry Number: 602-41-5
Synonyms: Coltramyl, Musco-ril, 10-Thiocolchicoside, Prestwick_875, Tiocolchicoside [DCIT], Colchicoside, 10-thio-, Prestwick0_000539, Prestwick1_000539, Prestwick2_000539, Prestwick3_000539, Thiocolchicosidum [INN-Latin], Tiocolchicosido [INN-Spanish], Thiocolchicoside [DCF:INN], Thiocolchicoside [INN:DCF], BSPBio_000557, MLS002153865, Thiocolchicine 2-glucoside analog, SPBio_002478, BPBio1_000613, C27H33NO10S

Molecular Formula: C27H33NO10SMolecular Weight: 563.616620 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: LEQAKWQJCITZNK-MSQQGMGVSA-N

• Thymidine
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 50-89-5
Synonyms: thymidine, deoxythymidine, Thymidin, 2'-Deoxythymidine, DThyd, dThd, Thyminedeoxyriboside, 5-Methyldeoxyuridine, 5-Methyldeoxyurindine, Deoxyribothymidine, Thymine-2-desoxyriboside, 2'-thymidine, Thymine deoxyriboside, Tritiated thymidine, (3H)Thymidine, Thymine-2-deoxyriboside, 5-Methyl-2'-deoxyuridine, Thymidine-(H-3), nchembio.90-comp10, 1w2g

Molecular Formula: C10H14N2O5Molecular Weight: 242.228560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: IQFYYKKMVGJFEH-XLPZGREQSA-N

• Tibolone
IUPAC Name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 5630-53-5
Synonyms: tibolone, Liviella, Boltin, Livial, Xyvion, Ambap1014, Org-OD14, Tibolone (JAN/USAN/INN), MLS001424234, CID444008, KB-889, CPD000469219, SAM001246801, SMR000469219, TL8003648, D01639, (7beta,8xi,9beta,13alpha,14beta,17alpha)-17-ethynyl-17-hydroxy-7-methylestr-5(10)-en-3-one

Molecular Formula: C21H28O2Molecular Weight: 312.445820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WZDGZWOAQTVYBX-XOINTXKNSA-N

• Timolol
IUPAC Name: (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol | CAS Registry Number: 26839-75-8
Synonyms: timolol, Blocadren, Istalol, Timopic, Timoptic, Timoptol, Betimol, Optimol, Timacar, Timolol maleate, Timolol GFS, (S)-timolol, Timololum [INN-Latin], Timolol [USAN], S(-)-Timolol maleate, Tocris-0649, Prestwick0_000948, Prestwick1_000948, Prestwick2_000948, Prestwick3_000948

Molecular Formula: C13H24N4O3SMolecular Weight: 316.419660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: BLJRIMJGRPQVNF-JTQLQIEISA-N

• Tizanidine
IUPAC Name: 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-7-amine | CAS Registry Number: 51322-75-9
Synonyms: tizanidine, Sirdalud, Ternelin, Zanaflex, Tizanidinum [INN-Latin], Tizanidine hydrochloride, Tizanidina [INN-Spanish], Tizanidine [INN:BAN], C9H8ClN5S, CID5487, BB_SC-4087, BRN 0618691, DB00697, NCGC00160529-01, NCGC00160529-02, NCGC00160529-03, NCGC00160529-04, LS-40470, C07452, 2,1,3-Benzothiadiazole, 5-chloro-4-(2-imidazolin-2-ylamino)-

Molecular Formula: C9H8ClN5SMolecular Weight: 253.711320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XFYDIVBRZNQMJC-UHFFFAOYSA-N

• Tocainide
IUPAC Name: 2-amino-N-(2,6-dimethylphenyl)propanamide | CAS Registry Number: 41708-72-9
Synonyms: tocainide, Tonocard, (S)-Tocainide, Alanyl-2,6-xylidide, Tocainidum [INN-Latin], Tocainida [INN-Spanish], Tocainide hydrochloride, Astra W 36095, Tocainide (USAN/INN), Prestwick0_001027, Prestwick1_001027, Prestwick2_001027, Prestwick3_001027, Tocainide [USAN:BAN:INN], BSPBio_001213, MLS000759525, MLS001423966, 2-Amino-2',6'-propionoxylidide, SPBio_003074, BPBio1_001335

Molecular Formula: C11H16N2OMolecular Weight: 192.257540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BUJAGSGYPOAWEI-UHFFFAOYSA-N

• Tolterodine
IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol | CAS Registry Number: 124937-51-5
Synonyms: tolterodine, (+)-Tolterodine, MLS001195620, MLS001304745, CHEBI:9622, KS-1121, NCGC00159519-02, SMR000596518, LS-187278, (+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol, 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol, 2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol

Molecular Formula: C22H31NOMolecular Weight: 325.487640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-N

• Topiramate
Synonyms: topiramate, Topamax, Epitomax, Topamax Sprinkle, Topimax, Topina, Topiramic acid, Tipiramate [French], Tipiramato [Spanish], topiramatum [Latin], Topiramate (TPM), Topamax (TN), Topiramatum [INN-Latin], Topiramate / Placebo, Topiramato [INN-Spanish], McN-4853, Cilag brand of topiramate, Ortho brand of topiramate, Spectrum2_001128, McN 4853

Molecular Formula: C12H21NO8SMolecular Weight: 339.362040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: KJADKKWYZYXHBB-XBWDGYHZSA-N

• Torsemide
IUPAC Name: 1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea | CAS Registry Number: 56211-40-6
Synonyms: Torasemide, Demadex, TORSEMIDE, Luprac, Presoril, Toradiur, Torocard, Dilutol, Sutril, Torrem, Torem, Unat, Torasemide N, Torsemide [USAN], Torsemide (USP), Demadex (TN), Luprac (TN), Torasemidum [INN-Latin], Torasemida [INN-Spanish], Ambap3994

Molecular Formula: C16H20N4O3SMolecular Weight: 348.420000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: NGBFQHCMQULJNZ-UHFFFAOYSA-N

• Tramadol
IUPAC Name: (1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol | CAS Registry Number: 27203-92-5
Synonyms: Ultram, Ralivia flashtab, Tramal, Ralivia ER, Tramodol Hcl, Tramadol HCl, Tramadolum [INN-Latin], tramadol hydrochloride, Tramadol [INN:BAN], MLS000333190, C16H25NO2, EINECS 248-319-6, BB_SC-1254, CID33741, DB00193, NCGC00159343-02, LS-57115, LS-57116, SMR000436547, K-315

Molecular Formula: C16H25NO2Molecular Weight: 263.375200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TVYLLZQTGLZFBW-ZBFHGGJFSA-N

• Trandolapril
IUPAC Name: (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid | CAS Registry Number: 87679-37-6
Synonyms: trandolapril, Mavik, Gopten, Preran, Odric, Odrik, Tarka, Udrik, Trandolaprilum [Latin], Mavik (TN), Trandolapril (JAN/INN), Trandolapril [BAN:INN], Trandolapril [INN:BAN], CCRIS 6594, C24H34N2O5, RU 44570, RU-44570, DB00519, RU44570, LS-82763

Molecular Formula: C24H34N2O5Molecular Weight: 430.537160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: VXFJYXUZANRPDJ-WTNASJBWSA-N

• Trimebutine
IUPAC Name: [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate | CAS Registry Number: 39133-31-8
Synonyms: trimebutine, Debridat, Trimebutine maleate, Trimebutinum [INN-Latin], Trimebutine maleate salt, Trimebutino [INN-Spanish], T6159_SIGMA, Trimebutine [BAN:DCF:INN], Trimebutine [INN:BAN:DCF], C22H29NO5, EINECS 254-309-2, CID5573, TM-906, ST075206, LS-174771, 2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoat, Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, 2-(dimethylamino)-2-phenylbutyl 3,4,5-tris(methyloxy)benzoate, 3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester, beta-(Dimethylamino)-beta-ethylphenethyl alcohol 3,4,5-trimethoxybenzoate (ester)

Molecular Formula: C22H29NO5Molecular Weight: 387.469360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: LORDFXWUHHSAQU-UHFFFAOYSA-N

• Trimegestone
IUPAC Name: (8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 74513-62-5
Synonyms: Ondeva, Trimegestone [INN], 21-hydroxypromegestone, Totelle Sekvens, Ondeva, Trimegestone (USAN/INN), Ru-27987, trimegestone, (17beta(R))-isomer, RU 27987, RU 27988, RU-27988, D06235, C050319, 17beta-(S)-Lactoyl-17-methylestra-4,9-dien-3-one, 17-(2-hydroxy-1-oxopropyl)-17-methylestra-4,9-dien-3-one, Estra-4,9-dien-3-one, 17-(2-hydroxy-1-oxopropyl)-17-methyl-, (17beta(S))-

Molecular Formula: C22H30O3Molecular Weight: 342.471800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JUNDJWOLDSCTFK-MTZCLOFQSA-N

• Trospium chloride
IUPAC Name: [(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate chloride | CAS Registry Number: 10405-02-4
Synonyms: trospium chloride, 3-((hydroxydiphenylacetyl)oxy)-spiro(8-azoniabicyclo(3.2.1)octane-8,1'-pyrrolidinium chloride

Molecular Formula: C25H30ClNO3Molecular Weight: 427.963600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RVCSYOQWLPPAOA-DHWZJIOFSA-M

• Trovafloxacin
IUPAC Name: 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid | CAS Registry Number: 147059-72-1
Synonyms: Trovan, Trovan (oral), TVFX, Fluorinated quinolone, Trovafloxacin [INN], Trovafloxacin mesylate, C20H15F3N4O3, AIDS010848, AIDS106741, AIDS-010848, AIDS-106741, CID62959, CP99219, DB00685, LS-95890, 147059-75-4 (MESYLATE), CP-99,219, 147059-72-1 (FREE BASE), 146836-84-2 (MESYLATE DELETED), CP-99219-27

Molecular Formula: C20H15F3N4O3Molecular Weight: 416.353310 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: WVPSKSLAZQPAKQ-SOSAQKQKSA-N

• Tyramine hydrochloride
IUPAC Name: 4-(2-aminoethyl)phenol hydrochloride | CAS Registry Number: 60-19-5
Synonyms: tyramine, Tyramine HCL, Tyramine monochloride, Tyrosamine hydrochloride, p-Tryamine hydrochloride, p-Tyramine hydrochloride, CCRIS 986, 4-Hydroxyphenethylamine hydrochloride, 4-(2-Aminoethyl)phenol hydrochloride, T2879_SIGMA, 4-Hydroxyphenethylammonium chloride, 93820_FLUKA, EINECS 200-462-5, NSC 27430, CID66449, SBB003808, Phenol, p-(2-aminoethyl)-, monochloride, AI3-52151, Phenol, 4-(2-aminoethyl)-, hydrochloride, NCGC00063825-03

Molecular Formula: C8H12ClNOMolecular Weight: 173.639980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: RNISDHSYKZAWOK-UHFFFAOYSA-N

• Ursodeoxycholic acid
IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid | CAS Registry Number: 128-13-2
Synonyms: ursodiol, Actigall, Delursan, Destolit, Litursol, Peptarom, Solutrat, Ursobilin, Ursochol, Ursodamor, Ursofalk, Ursolvan, Arsacol, Deursil, Ursacol, Lyeton, Cholit-ursan, URSODEOXYCHOLIC ACID, UrSO, Urso Forte

Molecular Formula: C24H40O4Molecular Weight: 392.572000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: RUDATBOHQWOJDD-UZVSRGJWSA-N

• valacyclovir
IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate | CAS Registry Number: 124832-26-4
Synonyms: Valaciclovir, Valtrex, Acetylpromazine, Zelitrex, Talavir, Virval, Acyclovir-valine, Valaciclovir Hcl, ValACV, ACEPROMAZINE, VACV, Valaciclovir, Valtrex, Valacyclovir hydrochloride, Valacyclover Hydrochloric, Valaciclovir hydrochloride, Valacyclover Hydrochloride, Valaciclovir [INN:BAN], valacyclovir, (L)-isomer, BSPBio_002474, MLS001304747

Molecular Formula: C13H20N6O4Molecular Weight: 324.335700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: HDOVUKNUBWVHOX-QMMMGPOBSA-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

• Vancomycin
Synonyms: Vancocin, VANCOMYCIN, Vancomycin [USAN], Vancomycine [INN-French], Vancomycinum [INN-Latin], Vancomicina [INN-Spanish], Prestwick0_000497, Prestwick1_000497, Prestwick2_000497, Lopac0_001267, HSDB 3262, Vancomycin [USAN:INN:BAN], SPBio_002314, C66H75Cl2N9O24, CHEBI:28001, EINECS 215-772-6, AIDS070034, AIDS-070034, 1404-93-9 (MONOHYDROCHLORIDE), LS-161387

Molecular Formula: C66H75Cl2N9O24Molecular Weight: 1449.253600 [g/mol]
H-Bond Donor: 19H-Bond Acceptor: 26

InChIKey: MYPYJXKWCTUITO-LYRMYLQWSA-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

• Vitamin D3
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 67-97-0
Synonyms: cholecalciferol, Calciol, Colecalciferol, Ricketon, Trivitan, Vigorsan, Deparal, Colecalcipherol, Arachitol, Delsterol, Vigantol, Quintox, Rampage, Ebivit, Oleovitamin D3, Cholecalciferolum, D3-Vicotrat, D3-Vigantol, FeraCol, Vi-de-3-hydrosol

Molecular Formula: C27H44OMolecular Weight: 384.637660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-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

• Xylometazoline
IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole | CAS Registry Number: 526-36-3
Synonyms: xylometazoline, Xylomethazoline, Otrivine, Otriven, Otrivin, Otrix, Novorin, Spectrum_000382, Prestwick0_000223, Prestwick1_000223, Prestwick2_000223, Prestwick3_000223, Spectrum2_000945, Spectrum3_000586, Spectrum4_000382, Spectrum5_001469, Lopac-X-6000, Xylometazolinum [INN-Latin], Xilometazolina [INN-Spanish], Xylometazoline hydrochloride

Molecular Formula: C16H24N2Molecular Weight: 244.375160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HUCJFAOMUPXHDK-UHFFFAOYSA-N

• Zafirlukast
IUPAC Name: cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate | CAS Registry Number: 107753-78-6
Synonyms: zafirlukast, Accolate, Olmoran, Accoleit, Aeronix, Zafirst, Respix, Accolate (TN), Zeneca brand of zafirkulast, Zafirlukast [USAN:BAN:INN], Menarini brand of zafirlukast, Novartis brand of zafirlukast, MLS000759421, MLS001424064, Zafirlukast (JAN/USAN/INN), AstraZeneca brand of zafirlukast, ICI-204219, STOCK6S-45610, C31H33N3O6S, CHEBI:10100

Molecular Formula: C31H33N3O6SMolecular Weight: 575.675220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: YEEZWCHGZNKEEK-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

• Zileuton
IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea | CAS Registry Number: 111406-87-2
Synonyms: ZILEUTON, Zyflo, Leutrol, Zyflo Filmtab, Zyflo CR, Zyflo (TN), Zileutonum [INN-Latin], Abbott 64077, Abbot 64077, Ambap5426, Zileuton (USP/INN), Abbott brand of zileuton, Prestwick0_001090, Zileuton [USAN:BAN:INN], Zileuton [USAN:INN:BAN], MLS000759510, MLS001424079, CTI-02, C11H12N2O2S, CHEBI:10112

Molecular Formula: C11H12N2O2SMolecular Weight: 236.290180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-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


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