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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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• Prochlorperazine
IUPAC Name: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine | CAS Registry Number: 58-38-8
Synonyms: prochlorperazine, Prochlorperazin, Chlorperazine, Procloperazine, Chlormeprazine, Prochlorpromazine, Proclorperazine, Compazine, Capazine, Stemetil, Tementil, Compro, Prochlorpermazine, Proclorperazina, Meterazine, Eskatrol, Kronocin, Meterazin, Emelent, Nipodal

Molecular Formula: C20H24ClN3SMolecular Weight: 373.942660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WIKYUJGCLQQFNW-UHFFFAOYSA-N

• Propafenone Hydrochloride
IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride | CAS Registry Number: 54063-53-5
Synonyms: Rythmol, Rytmonorm, Baxarytmon, Rhythmonorm, Fenoprain, Rythmol SR, Pronon, Propafenone HCl, PROPAFENONE HYDROCHLORIDE, Prestwick_831, Rythmol (TN), Propafenone hydrochloirde, C21H27NO3.HCl, MLS000069682, MLS001148185, Propafenon hydrochlorid [German], SPECTRUM1503935, SA 79, EINECS 251-867-9, WZ 884

Molecular Formula: C21H28ClNO3Molecular Weight: 377.904920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: XWIHRGFIPXWGEF-UHFFFAOYSA-N

• Propranolol
IUPAC Name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol | CAS Registry Number: 525-66-6
Synonyms: propranolol, Propanolol, Inderal, beta-Propranolol, Anapriline, Avlocardyl, Euprovasin, Proprasylyt, Anaprilin, Betalong, Corpendol, Propanix, Dociton, Reducor, Sawatal, Sumial, propranololo, Inderalici, Propanalol, Berkolol

Molecular Formula: C16H21NO2Molecular Weight: 259.343440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AQHHHDLHHXJYJD-UHFFFAOYSA-N

• Pyrazinamide
IUPAC Name: pyrazine-2-carboxamide | CAS Registry Number: 98-96-4
Synonyms: pyrazinamide, pyrazinecarboxamide, pyrazinoic acid amide, Pyrazineamide, Aldinamide, Pirazimida, Pirazinamid, Aldinamid, Unipyranamide, Farmizina, Tebrazid, Zinamide, Eprazin, Novamid, Pyrafat, 2-Carbamylpyrazine, Rifater, Tisamid, pyrazine carboxylamide, Pharozinamide

Molecular Formula: C5H5N3OMolecular Weight: 123.112700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IPEHBUMCGVEMRF-UHFFFAOYSA-N

• Quetiapine Hemifumarate
IUPAC Name: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol | CAS Registry Number: 111974-69-7
Synonyms: quetiapine, Seroquel, Seroquel (Fumarate), Quetiapine [INN:BAN], MLS001165710, MLS001195658, SPECTRUM1505187, CID5002, CHEBI:8707, STOCK6S-53310, C21H25N3O2S, AIDS085406, AIDS-085406, ZD5077, DB01224, KS-1099, ICI 204,636, NCGC00095911-01, NCGC00095911-03, NCGC00095911-04

Molecular Formula: C21H25N3O2SMolecular Weight: 383.507100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: URKOMYMAXPYINW-UHFFFAOYSA-N

• Quinapril
IUPAC Name: (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | CAS Registry Number: 85441-61-8
Synonyms: quinapril, Quinaprilum, Quinazil, Quinaprilum [Latin], QUINAPRIL HCL, Spectrum_001597, Quinapril (USP/INN), Quinapril [INN:BAN], Spectrum2_000825, Spectrum3_001551, Spectrum4_000727, Spectrum5_001075, BSPBio_003022, KBioGR_000994, KBioSS_002077, QUINAPRIL HYDROCHLORIDE, DivK1c_000710, SPBio_000749, CHEBI:8713, KBio1_000710

Molecular Formula: C25H30N2O5Molecular Weight: 438.516100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JSDRRTOADPPCHY-HSQYWUDLSA-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: C18H21N3O3SMolecular Weight: 359.442640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YREYEVIYCVEVJK-UHFFFAOYSA-N

• Raloxifene
IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone | CAS Registry Number: 84449-90-1
Synonyms: raloxifene, Keoxifene, Raloxifene Hcl, Raloxifenum [Latin], Raloxifeno [Spanish], nchembio.76-comp4, Keoxifene hydrochloride, nchembio.140-comp6, Raloxifene [INN:BAN], Prestwick0_000862, Prestwick1_000862, Prestwick2_000862, Prestwick3_000862, Lopac-R-1402, RALOXIFENE HYDROCHLORIDE, CCRIS 7129, Lopac0_001051, BSPBio_000903, KBioGR_002361, KBioSS_002364

Molecular Formula: C28H27NO4SMolecular Weight: 473.583280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GZUITABIAKMVPG-UHFFFAOYSA-N

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

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

InChIKey: HDACQVRGBOVJII-JBDAPHQKSA-N

• Rapamycin
Synonyms: rapamycin, Sirolimus, Rapamune, 1fkb, 1pbk, LCP-Siro, (-)-Rapamycin, nchembio.79-comp1, nchembio762-comp1, nchembio883-comp3, nchembio.100-comp4, Sirolimus (RAPAMUNE), (-)-Rapamycin;Rapamune, Antibiotic AY 22989, BiomolKI2_000084, nchembio.2007.42-comp2, Sirolimus [USAN:BAN:INN], CCRIS 9024, R0395_SIAL, SILA 9268A

Molecular Formula: C51H79NO13Molecular Weight: 914.171860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N

• Repaglinide
IUPAC Name: 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid | CAS Registry Number: 135062-02-1
Synonyms: Prandin, NovoNorm, Actulin, GlucoNorm, Repaglinide [USAN], Prandin (TN), Repaglinidum [INN-Latin], Repaglinida [INN-Spanish], Prestwick0_001046, Prestwick1_001046, Prestwick2_001046, Prestwick3_001046, AG-EE 388 ZW, AG-EE 623 ZW, BSPBio_000972, MLS000759407, MLS001076684, R9028_SIGMA, Repaglinide (JAN/USP/INN), SPBio_002906

Molecular Formula: C27H36N2O4Molecular Weight: 452.585740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FAEKWTJYAYMJKF-QHCPKHFHSA-N

• Resveratrol
IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

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

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

InChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-N

• Riboflavin
IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione | CAS Registry Number: 83-88-5
Synonyms: riboflavin, Lactoflavin, vitamin B2, Riboflavine, Beflavin, Flavaxin, Fiboflavin, Lactoflavine, Ribocrisina, Vitaflavine, Beflavine, Bisulase, Dermadram, Hyflavin, Lactobene, Riboderm, Ribotone, Flaxain, Ribipca, Ribosyn

Molecular Formula: C17H20N4O6Molecular Weight: 376.363900 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-N

• Rifabutin
Synonyms: RIFABUTIN, Ansamycin, Mycobutin, Ansatipine, Ansatipin, Alfacid, Rifabutine, Assatipin, Mycobutin (TN), Rifabutine [French], Rifabutinum [Latin], Rifabutina [Spanish], Antibiotic LM 427, Prestwick2_001109, Rifabutin [USAN:BAN:INN], Rifabutin (JAN/USP/INN), HSDB 3577, MLS000759428, MLS001061256, 4-N-isobutylspiropiperidylrifamycin S

Molecular Formula: C46H62N4O11Molecular Weight: 847.004680 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ATEBXHFBFRCZMA-VXTBVIBXSA-N

• Rimantadine Hcl
IUPAC Name: 1-(1-adamantyl)ethanamine | CAS Registry Number: 13392-28-4
Synonyms: rimantadine, Flumadine, Remantadine, Riamantadine, Rimant, Ambap1062, Rimantadinum [INN-Latin], 1-(1-Adamantyl)ethylamin, Enamine_005755, Rimantadina [INN-Spanish], Rimantadine [INN:BAN], Maybridge1_002066, Rimant & .alpha. IFN, Rimantidine & .alpha.IFN, 1-(1-Adamantyl)ethanamine, alpha-Methyladamantanemethylamine, Oprea1_602732, alpha-Methyl-1-adamantanemethylamine, .alpha.-Methyladamantanemethylamine, HSDB 7438

Molecular Formula: C12H21NMolecular Weight: 179.301840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UBCHPRBFMUDMNC-UHFFFAOYSA-N

• Risedronate
IUPAC Name: (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid | CAS Registry Number: 105462-24-6
Synonyms: Risedronic acid, Risedronate sodium, Actonel, Bisphosphonate 1, Risedronic acid [INN], Risedronic acid [INN:BAN], Acide risedronique [INN-French], Acido risedronico [INN-Spanish], Acidum risedronicum [INN-Latin], C7H11NO7P2, HSDB 7326, CID5245, AIDS088659, AIDS-088659, NE 58019, DB00884, DB02782, NE-58095, LS-171967, 105462-24-6 (FREE ACID)

Molecular Formula: C7H11NO7P2Molecular Weight: 283.112262 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: IIDJRNMFWXDHID-UHFFFAOYSA-N

• Risperidone
IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one | CAS Registry Number: 106266-06-2
Synonyms: risperidone, Risperdal, Rispolept, Risperdal Consta, Risperin, Rispolin, Sequinan, Risperidal, Risperidonum, Belivon, Risperidal M-Tab, Risperidonum [Latin], Risperdal M-Tab, Risperidona [Spanish], Consta, Risperdal, Risperdal (TN), Risperidone (RIS), Risperidone, placebo, Ambap6280, Lopac-R-118

Molecular Formula: C23H27FN4O2Molecular Weight: 410.484483 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-N

• Ritonavir
IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate | CAS Registry Number: 155213-67-5
Synonyms: ritonavir, Norvir, Kaletra, Mixture Name, 1hxw, Ritonavir [USAN], Component of Kaletra, Norvir (TM), Norvir (TN), Abbott 84538, 1sh9, ABT-538, MLS000759541, MLS001424063, Ritonavir (JAN/USAN/INN), ABT538, STOCK6S-48483, HSDB 7160, C37H48N6O5S2, NSC693184

Molecular Formula: C37H48N6O5S2Molecular Weight: 720.944220 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: NCDNCNXCDXHOMX-XGKFQTDJSA-N

• Rivastigmine
IUPAC Name: [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate | CAS Registry Number: 123441-03-2
Synonyms: rivastigmine, Exelon, ENA 713 free base, Rivastigmine tartrate, Exelon (TN), Rivastigmine [USAN:INN], Rivastigmine (USAN/INN), Rivastigmine Hydrogen Tartrate, ENA 713, ENA-713, C14H22N2O2, CID77991, SDZ 212-713, DB00989, NCGC00167531-01, LS-172571, C11766, D03822, 3-((1S)-1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate, (S)-3-(1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate

Molecular Formula: C14H22N2O2Molecular Weight: 250.336680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSVMFMHYUFZWBK-NSHDSACASA-N

• Rizatriptan Benzoate
IUPAC Name: benzoic acid; N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine | CAS Registry Number: 145202-66-0
Synonyms: Maxalt, Rizatriptan benzoate, rizatriptan, Maxalt-MLT, Rizatriptan(RIZ), Maxalt (TN), Rizatriptan Benzoate [USAN], MLS001424197, MK 462, MK-462, MK 0462, MK-0462, Rizatriptan benzoate (JAN/USAN), C15H19N5.C7H6O2, CID77997, CPD000525252, SAM001246615, SMR000525252, L 705126, L-705126

Molecular Formula: C22H25N5O2Molecular Weight: 391.466200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: JPRXYLQNJJVCMZ-UHFFFAOYSA-N

• Rofecoxib
IUPAC Name: 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one | CAS Registry Number: 162011-90-7
Synonyms: rofecoxib, Vioxx, Ceoxx, refecoxib, Vioxx Dolor, Vioxx (trademark), Vioxx (TN), MSD brand of rofecoxib, Spectrum_000119, SpecPlus_000669, Merck brand of rofecoxib, Spectrum2_000446, Spectrum3_001153, Spectrum4_000631, Spectrum5_001598, CCRIS 8967, MK 966, BSPBio_002705, KBioGR_001242, KBioGR_002345

Molecular Formula: C17H14O4SMolecular Weight: 314.355660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RZJQGNCSTQAWON-UHFFFAOYSA-N

• Ropinirole
IUPAC Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one | CAS Registry Number: 91374-21-9
Synonyms: ropinirole, ReQuip, ropinirol, Ropinirole HCl, Ropinirole hydrochloride, Ropinirol [INN-Spanish], Ropinirolum [INN-Latin], Ropinirole [INN:BAN], Lopac-R-4152, Lopac0_001101, SPECTRUM1505178, CHEBI:8888, C16H24N2O, CID5095, DB00268, SKF 101468, SK&F 101468, NCGC00015893-01, NCGC00096064-01, NCGC00096064-02

Molecular Formula: C16H24N2OMolecular Weight: 260.374560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UHSKFQJFRQCDBE-UHFFFAOYSA-N

• Rosiglitazone
IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 122320-73-4
Synonyms: rosiglitazone, Avandia, Rosigilitazone, Rosiglizole, Rosi, Rosiglitazone maleate, Rosigliazone maleate, Brl-49653, Spectrum_001703, rosiglitazone (Avandia), Spectrum2_001241, Spectrum3_000997, Spectrum4_001125, Spectrum5_001464, Brl 49653, Rosiglitazone [INN:BAN], BSPBio_002693, KBioGR_001609, KBioSS_002183, SPECTRUM1504263

Molecular Formula: C18H19N3O3SMolecular Weight: 357.426760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YASAKCUCGLMORW-UHFFFAOYSA-N

• Rosuvastatin
IUPAC Name: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid | CAS Registry Number: 287714-41-4
Synonyms: Rosuvastatin [INN], HSDB 7317, DB01098, ZD-4522, (E,3R,5R)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid, 147098-20-2, 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E)-

Molecular Formula: C22H28FN3O6SMolecular Weight: 481.537623 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: BPRHUIZQVSMCRT-YXWZHEERSA-N

• Roxithromycin
IUPAC Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12S,13R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6,11,12-trihydroxy-3-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-9-(2-methoxyethoxymethoxyimino)-2,4,6,8,10,12-hexamethyl-14-oxacyclotetradecan-1-one | CAS Registry Number: 80214-83-1
Synonyms: roxithromycin, Rulide, Prestwick_1046, Roxithromycine [French], Roxithromycinum [Latin], Roxitromicina [Spanish], Prestwick2_000854, CCRIS 3461, Roxithromycin [USAN:INN:JAN], RU 965, AIDS208769, AIDS-208769, C41H76N2O15, BRN 4286925, RU-965, RU 28965, CID9567573, Roxithromycin plus Tumor Necrosis Factor, LS-64684, RU-28965

Molecular Formula: C41H76N2O15Molecular Weight: 837.046540 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 17

InChIKey: RXZBMPWDPOLZGW-KMAKEOJNSA-N

• Ruboxistaurin
Synonyms: Ruboxistaurin [INN], 1uu3, UNII-721809WQCP, K00587a, LY-333531, CID153999, LY 333531, LY333531, LS-186984, LS-187626, LY-333,531, 13-((Dimethylamino)methyl)-10,11,14,15-tetrahydro-4,9:16,21-dimetheno-1H,13H-dibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecene-1,3(2H)-dione, 9H,18H-5,21:12,17-Dimethenodibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecine-18,20(19H)-dione, 9-((dimethylamino)methyl)-6,7,10,11-tetrahydro-, (9S)-, (9S)-9-((Dimethylamino)methyl)-6,7,10,11-tetrahydro-9H,19H-5,21:12,17-dimethenodibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecene-18,20-dione, LY4

Molecular Formula: C28H28N4O3Molecular Weight: 468.546920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZCBUQCWBWNUWSU-SFHVURJKSA-N

• Saquinavir
IUPAC Name: (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide | CAS Registry Number: 127779-20-8
Synonyms: Fortovase, SAQUINAVIR, Invirase, 1hxb, 2fgu, 2fgv, Saquinavir mesylate, Fortovase (TN), Prestwick0_001114, Prestwick1_001114, Prestwick2_001114, Prestwick3_001114, QNC-ASN-HPH-DIQ-NTB, BSPBio_001248, Saquinavir (JAN/USP/INN), MLS001195635, MLS001304735, SPBio_003114, BPBio1_001373, AIDS000640

Molecular Formula: C38H50N6O5Molecular Weight: 670.840800 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: QWAXKHKRTORLEM-UGJKXSETSA-N

• Scopolamine Hydrobromide
Synonyms: scopolamine, Beldavrin, Euscopol, Hyoscine, Isoscopil, Scopamin, Tranaxine, Triptone, Hyosol, Kwells, Scopos, Sereen, Hysco, Isopto Hyoscine, Hyoscine bromide, Hyoscine hydrobromide, Scopolaminium bromide, component of Benacine, Hyoscyine hydrobromide, Scopolammonium bromide

Molecular Formula: C17H21BrNO4-Molecular Weight: 383.256940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WTGQALLALWYDJH-AKTDCHNFSA-M

• Sertraline
IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine | CAS Registry Number: 79617-96-2
Synonyms: sertraline, Zoloft, Sertralinum [Latin], Sertralina [Spanish], Sertraline (INN), sertraline (Zoloft), Sertraline hydrochloride, Sertraline [Zoloft], Sertraline [INN:BAN], Prestwick3_001014, Spectrum2_000493, Spectrum3_001079, Spectrum4_001232, SULTAMICILLIN TOSYLATE, BSPBio_001167, BSPBio_002698, C17H17Cl2N, KBioGR_001724, HSDB 7037, MLS001195647

Molecular Formula: C17H17Cl2NMolecular Weight: 306.229580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VGKDLMBJGBXTGI-SJCJKPOMSA-N

• Sildenafil
IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one | CAS Registry Number: 139755-83-2
Synonyms: sildenafil, Sildenafil citrate, 1udt, 1xos, VIAGRA, Ambap1012, Spectrum_001555, SpecPlus_000798, Sildenafil [INN:BAN], Spectrum2_001648, Spectrum3_001892, Spectrum4_000586, Spectrum5_001508, BSPBio_003424, KBioGR_001052, KBioSS_002035, MLS001240224, MLS001304737, DivK1c_006894, SPECTRUM1504099

Molecular Formula: C22H30N6O4SMolecular Weight: 474.576400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-N

• Simvastatin
IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate | CAS Registry Number: 79902-63-9
Synonyms: simvastatin, Zocor, Synvinolin, Sinvacor, Sivastin, Colemin, Medipo, Pantok, Denan, Lipex, Labistatin, Cholestat, Nivelipol, Rendapid, Vasotenal, Coledis, Corolin, Lodales, Simovil, Vytorin

Molecular Formula: C25H38O5Molecular Weight: 418.566220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N

• Sodium Valproate
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, Valproic acid sodium salt, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium

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

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• Solifenacin Succinate
IUPAC Name: 1-azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; butanedioic acid | CAS Registry Number: 242478-38-2
Synonyms: Vesicare, Solifenacin succinate, Vesicare (TN), CID443937, Solifenacin succinate (JAN/USAN/INN), D01269

Molecular Formula: C27H32N2O6Molecular Weight: 480.552780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: RXZMMZZRUPYENV-DZSUWJOWSA-N

• Sotalol
IUPAC Name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide | CAS Registry Number: 3930-20-9
Synonyms: sotalol, beta-Cardone, .beta.-Cardone, d,l-Sotalol, Sotalol HCL, Sotalol hydrochloride, Sotalolum [INN-Latin], Sotalol [INN:BAN], Sotalol Monohydrochloride, Prestwick0_000966, Prestwick1_000966, Prestwick2_000966, Prestwick3_000966, CCRIS 4204, Lopac0_001055, BSPBio_000971, SPBio_002892, BPBio1_001069, C12H20N2O3S, DB00489

Molecular Formula: C12H20N2O3SMolecular Weight: 272.363800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ZBMZVLHSJCTVON-UHFFFAOYSA-N

• Spironolactone
IUPAC Name: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate | CAS Registry Number: 52-01-7
Synonyms: spironolactone, Aldactone, Verospiron, Spiroctan, Spironocompren, Spirolactone, Verospirone, Euteberol, Spirolang, Melarcon, Spiresis, Spiridon, Uractone, Urusonin, Alderon, Spirone, Xenalon, Acelat, Dira, Spiro-Tablinen

Molecular Formula: C24H32O4SMolecular Weight: 416.573480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LXMSZDCAJNLERA-ZHYRCANASA-N

• Stavudine
IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 3056-17-5
Synonyms: stavudine, sanilvudine, Zerit, ddeThd, ddeTyd, Zent, Zerut XR, D 4T (nucleoside), Stavudinum [INN-Latin], Sanilvudine (JAN), Dideoxydidehydrothymidine, Estavudina [INN-Spanish], Zerit (TN), 2',3'-Didehydro-3'-deoxythymidine, Stavudine (USAN/INN), 2',3'-Anhydrothymidine, Stavudine [USAN:BAN:INN], 3'-Deoxy-2'-thymidinene, 2'-Thymidinene, 3'-deoxy-, D 4T

Molecular Formula: C10H12N2O4Molecular Weight: 224.213280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XNKLLVCARDGLGL-JGVFFNPUSA-N

• Sulphamethoxazole
IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide | CAS Registry Number: 723-46-6
Synonyms: sulfamethoxazole, Sulfisomezole, Gantanol, Metoxal, Sulfamethoxazol, Simsinomin, Bactrim, Radonil, Sinomin, Bactrimel, Gamazole, Sulfatrim, Cotrim, Septra, Sulfamethylisoxazole, Sulfamethalazole, Sulfamethoxizole, Sulphamethoxazol, Azo gantanol, Azo-gantanol

Molecular Formula: C10H11N3O3SMolecular Weight: 253.277640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JLKIGFTWXXRPMT-UHFFFAOYSA-N

• Sulphasalazine
IUPAC Name: (3Z)-6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid | CAS Registry Number: 599-79-1
Synonyms: sulfasalazine, Azulfidine, Salicylazosulfapyridine, Salazosulfapyridine, Azulfidine (TN), Prestwick_848, Sulphasalazine, N-, 13gs, Sulfasalazine (USP/INN), Salazosulfapyridine (JP15), NCGC00016518-01, NCGC00090903-01, NCGC00090903-02, NCGC00090903-03, NCGC00090903-04, NCGC00090903-05, CAS-599-79-1, C07316, D00448, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID

Molecular Formula: C18H14N4O5SMolecular Weight: 398.392560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: OQANPHBRHBJGNZ-BKUYFWCQSA-N

• Sulpiride
IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide | CAS Registry Number: 15676-16-1
Synonyms: sulpiride, Aiglonyl, Sulpirid, Sulpyrid, Guastil, Levosulpiride, Dogmatil, Dogmatyl, Dolmatil, Mirbanil, Misulvan, Psicocen, Eglonyl, Miradol, Neogama, Omperan, Splotin, Abilit, Meresa, Calmoflorine

Molecular Formula: C15H23N3O4SMolecular Weight: 341.425820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-N

• Sultopride
IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide | CAS Registry Number: 53583-79-2
Synonyms: Barnetil, Topral, amisulpride, Barnotil, Solian, Sultopridum [INN-Latin], Sultopride [DCF:INN], Sultopride [INN:DCF], Sultroprida [INN-Spanish], LIN 1418, C17H26N2O4S, EINECS 258-641-9, DAN 2163, LIN-1418, BRN 0494772, PDSP1_001575, PDSP2_001559, LS-20057, C11708, 5-22-08-00103 (Beilstein Handbook Reference)

Molecular Formula: C17H26N2O4SMolecular Weight: 354.464340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UNRHXEPDKXPRTM-UHFFFAOYSA-N

• Sumatriptan
IUPAC Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide | CAS Registry Number: 103628-46-2
Synonyms: sumatriptan, Sumatran, Imitrex, Sumax, Imigran, Sumatriptanum, Imigran (TN), Imitrex (TN), Sumatriptanum [INN-Latin], SUMATRIPTAN SUCCINATE, BSPBio_002304, MLS001195659, MLS001304742, SPECTRUM1505372, Sumatriptan (JAN/USP/INN), CID5358, C14H21N3O2S, CHEBI:10650, GR 43175X, NP101

Molecular Formula: C14H21N3O2SMolecular Weight: 295.400440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KQKPFRSPSRPDEB-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, Tegaserod maleate, 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


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