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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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• Neostigmine Methyl Sulfate
IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium; methyl sulfate | CAS Registry Number: 51-60-5
Synonyms: Neostigmeth, Normastigmin, Polstigmine, Synstigmine, Syntostigmin, Prostigmin, Hodostin, Proserine, Juvastigmin, Kirkstigmine, Proserin, Methyl sulfate, Neostigmine methyl sulfate, Syntostigmin (VAN), Neostigmine methosulfate, Prostigmin (TN), Eustigmin methyl sulfate, Proserine methyl sulfate, Stigmanol methyl sulfate, Stigmosan methyl sulfate

Molecular Formula: C13H22N2O6SMolecular Weight: 334.388580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: OSZNNLWOYWAHSS-UHFFFAOYSA-M

• Nevirapine
Synonyms: nevirapine, Viramune, 1vrt, 2hny, Viramune (TN), Nevirapine [USAN:INN], Nevirapine+PRO 140, Nevirapine & CD4-IgG, BI-RG-587, Promeco Brand of Nevirapine, BIRG587, Nevirapine (JAN/USP/INN), BIRG 0587, HSDB 7164, MLS000084585, MLS000759409, MLS001055309, MLS001201730, BIRG 587, BIRG-587

Molecular Formula: C15H14N4OMolecular Weight: 266.297860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NQDJXKOVJZTUJA-UHFFFAOYSA-N

• Niacin
IUPAC Name: pyridine-3-carboxylic acid | CAS Registry Number: 59-67-6
Synonyms: nicotinic acid, niacin, wampocap, 3-pyridinecarboxylic acid, nicamin, nicobid, nicocap, nicolar, Pellagramin, Apelagrin, Pellagrin, Direktan, Pelonin, Peviton, Akotin, Bionic, Daskil, Diacin, Efacin, Linic

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

InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N

• Nicardipine
IUPAC Name: 5-O-methyl 3-O-[2-[methyl(phenylmethyl)amino]ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 55985-32-5
Synonyms: nicardipine, Perdipine, Nicardipine HCl, Nicardipine LA, Nicardipinum [INN-Latin], Nicardipino [INN-Spanish], Ambap6237, Spectrum_001372, Nicardipine [INN:BAN], Prestwick0_000383, Prestwick1_000383, Prestwick2_000383, Prestwick3_000383, Spectrum2_001415, Spectrum3_001452, Spectrum4_000422, Spectrum5_001320, CBiol_001802, Lopac0_000809, Oprea1_436998

Molecular Formula: C26H29N3O6Molecular Weight: 479.524960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: ZBBHBTPTTSWHBA-UHFFFAOYSA-N

• Nicorandil
IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl nitrate | CAS Registry Number: 65141-46-0
Synonyms: NICORANDIL, Adancor, Sigmart, Dancor, Ikorel, Sigmart (TN), 2-Nicotinamidoethyl nitrate, Nicorandil Merck Brand, Tocris-2147, 2-Nicotinamidethyl Nitrate, Nicorandilum [INN-Latin], Nicorandil Aventis Brand, Merck Brand of Nicorandil, 2-(Nicotinamido)ethyl nitrat, 2 Nicotinamidethyl Nitrate, 2 Nicotinamidoethyl Nitrate, Aventis Brand of Nicorandil, Nitrate, 2-Nicotinamidethyl, SG 75, SG-75

Molecular Formula: C8H9N3O4Molecular Weight: 211.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LBHIOVVIQHSOQN-UHFFFAOYSA-N

• Nimesulide
IUPAC Name: N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide | CAS Registry Number: 51803-78-2
Synonyms: nimesulide, Mesulid, Aulin, Nimed, Antifloxil, Flogovital, Sulidene, Guaxan, Eskaflam, Orthobid, Redaflam, Aldoron, Nimedex, Nimesil, Nisulid, Nexen, Nise Gel, Prestwick_618, Ambap693, Nimesulide [BAN:INN]

Molecular Formula: C13H12N2O5SMolecular Weight: 308.309780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: HYWYRSMBCFDLJT-UHFFFAOYSA-N

• Nimodipine
IUPAC Name: 5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 66085-59-4
Synonyms: nimodipine, Nimotop, Periplum, Admon, Remontal, Brainal, Kenesil, Calnit, Modus, Nimodipin Hexal, NimodipinISIS, Nimodipin ISIS, Nimodipin-ISIS, Nimodipino Bayvit, Nimotop(TM), nchembio.79-comp6, Nimodipinum [INN-Latin], Nimodipino [INN-Spanish], Spectrum_001880, SpecPlus_000716

Molecular Formula: C21H26N2O7Molecular Weight: 418.440340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N

• Nisoldpine
IUPAC Name: 5-O-methyl 3-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 63675-72-9
Synonyms: nisoldipine, Sular, Nisocor, Nisoldipin, Baymycard, Syscor, Nisoldipinum [INN-Latin], Sular (TN), Nisoldipino [INN-Spanish], Bay k 5552, Bay-k-5552, MLS000759498, MLS001424102, MLS002153943, Nisoldipine (JAN/USAN/INN), Nisoldipine [USAN:BAN:INN:JAN], EINECS 264-407-7, BB_SC-5085, C20H24N2O6, BRN 0454188

Molecular Formula: C20H24N2O6Molecular Weight: 388.414360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: VKQFCGNPDRICFG-UHFFFAOYSA-N

• Nitalapram
IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 59729-33-8
Synonyms: citalopram, Cytalopram, Cipram, Escitalopram, Citadur, Lexapro, [3H]Citalopram, Citadur (TN), Citalopram [Celexa], Citalopramum [INN-Latin], citalopram hydrobromide, Citalopram (USP/INN), Citalopram [BAN:INN], Citalopram [INN:BAN], Prestwick3_000692, Lopac0_000258, BSPBio_000843, BPBio1_000929, C20H21FN2O, CHEBI:3723

Molecular Formula: C20H21FN2OMolecular Weight: 324.391943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WSEQXVZVJXJVFP-UHFFFAOYSA-N

• Nitrendipine
IUPAC Name: 3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 39562-70-4
Synonyms: nitrendipine, Baypress, Bayotensin, Nidrel, Nitrendimerck, Baylotensin, Nitregamma, Nitrendepat, Nitrendidoc, Nitrendipin, Nitrepress, Tensogradal, Vastensium, Balminil, Baypresol, Jutapress, Nitrensal, Trendinol, Gericin, Niprina

Molecular Formula: C18H20N2O6Molecular Weight: 360.361200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-N

• Nizatidine
IUPAC Name: (E)-1-N-[2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N'-methyl-2-nitroethene-1,1-diamine | CAS Registry Number: 76963-41-2
Synonyms: nizatidine, Acinon, Axid, Zanizal, Nizax, Calmaxid, Cronizat, Distaxid, Galitidin, Naxidine, Antizid, Gastrax, Nizaxid, Panaxid, Ulcosol, Tazac, Ulxid, Zinga, Splendil ER, Axid Ar

Molecular Formula: C12H21N5O2S2Molecular Weight: 331.457440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SGXXNSQHWDMGGP-IZZDOVSWSA-N

• Norelgestromin
IUPAC Name: (3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol | CAS Registry Number: 53016-31-2
Synonyms: Evra, Evra (TN), Norelgestromin (USAN/INN), D05205

Molecular Formula: C21H29NO2Molecular Weight: 327.460460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ISHXLNHNDMZNMC-VTKCIJPMSA-N

• Norethisterone
IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 68-22-4
Synonyms: norethindrone, Micronor, Norethisteron, Primolut-N, 19-Norethisterone, Noresthisterone, Anovulatorio, Norethadrone, Norethyndron, Norethynodron, Norethynodrone, Ciclovulan, Micronovum, Proluteasi, Brevicon, Conludaf, Conludag, Estrinor, Microneth, Micronett

Molecular Formula: C20H26O2Molecular Weight: 298.419240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VIKNJXKGJWUCNN-XGXHKTLJSA-N

• Norgestimate
IUPAC Name: [(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate | CAS Registry Number: 35189-28-7
Synonyms: NORGESTIMATE, Ortho-Cyclen, Dexnorgestrel acetime, Ortho-Prefest, Mixture Name, Ortho Tri-Cyclen, Ortho Cyclen-21, Ortho Cyclen-28, Norgestimatum [INN-Latin], Norgestimato [INN-Spanish], norgestrel oxime acetate, Norgestimate (USP/INN), Norgestimate [USAN:BAN:INN], Norgestimate [USAN:INN:BAN], C23H31NO3, CHEBI:50815, ORF 10131, RWJ 10131, ORF-10131, CID6540478

Molecular Formula: C23H31NO3Molecular Weight: 369.497140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KIQQMECNKUGGKA-NMYWJIRASA-N

• Norgestrel
IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 6533-00-2
Synonyms: Levonorgestrel, norgestrel, Mirena, Microval, Ovrette, D-Norgestrel, Follistrel, Microlution, Capronor, Levonova, Microgyn, Microlut, Nordette, Ovranette, Postinor, Triagynon, Triciclor, Triphasil, Jadelle, Monovar

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

InChIKey: WWYNJERNGUHSAO-XUDSTZEESA-N

• Octreotide Acetate
IUPAC Name: 7-(4-aminobutyl)-16-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-4-(1-hydroxyethyl)-10-(1H-indol-3-ylmethyl)-3,6,9,12,15-pentaoxo-13-(phenylmethyl)-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carboxamide | CAS Registry Number: 83150-76-9
Synonyms: Octreotide, Longastatin, Sandostatin, Sandostatine, Octrotide, Octreotidum [Latin], Octreotida [Spanish], Octreotide acetate, Octreotide Acetate Salt, Octreotide (USAN/INN), Sandoz 201-995, Octreotide [USAN:BAN:INN], Octreotide [USAN:INN:BAN], DRG-0115, C5H12O2.C4H10, SMS-201-995, CID383414, DB00104, SAN 201-995, SMS 201-995

Molecular Formula: C49H66N10O10S2Molecular Weight: 1019.239340 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 13

InChIKey: DEQANNDTNATYII-UHFFFAOYSA-N

• Ofloxacin
Synonyms: ofloxacin, Floxin, Ocuflox, Tarivid, Ofloxacine, Oflocet, Oxaldin, Visiren, Exocin, Exocine, Zanocin, Floxin otic, Ofloxacin Otic, Ofloxacina [DCIT], Ofloxacine [French], Ofloxacinum [Latin], DEXTROFLOXACINE, OFLX, Ofloxacino [Spanish], Floxin (TN)

Molecular Formula: C18H20FN3O4Molecular Weight: 361.367503 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N

• Olanzapine
IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine | CAS Registry Number: 132539-06-1
Synonyms: olanzapine, Zyprexa, Olansek, Symbyax, Zyprexa Zydis, Zalasta, Lanzac, Midax, Zyprexa Velotab, Mixture Name, Olanzapine (OLA), Zyprexa (TN), Zyprexa Intramuscular, Olanzapine [USAN:INN], Lilly brand of olanzapine, MLS000759457, MLS001165781, MLS001195646, MLS001424057, Eli Lilly brand of olanzapine

Molecular Formula: C17H20N4SMolecular Weight: 312.432500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WXPNDRBBWZMPQG-UHFFFAOYSA-N

• Olmesartan Medoxomil
IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate | CAS Registry Number: 144689-63-4
Synonyms: Benicar, Olmesartan medoxomil, Olmetec, Olmesartan, Benevas, Olmesartan medoximil, Benicar (TN), Olmetec (TN), Spectrum_001944, Spectrum2_000506, Spectrum3_001676, Spectrum4_000740, Spectrum5_001556, BSPBio_003491, KBioGR_001040, KBioSS_002498, Cs 866, SPECTRUM1505205, SPBio_000431, CS-866DM

Molecular Formula: C29H30N6O6Molecular Weight: 558.585100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: UQGKUQLKSCSZGY-UHFFFAOYSA-N

• Olsalazine
IUPAC Name: 5-[(2Z)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-hydroxybenzoic acid | CAS Registry Number: 15722-48-2
Synonyms: Olsalazina, Olsalazinum, Azodisal, Dipentium, Rasal, Olsalazinum [Latin], Olsalazina [Spanish], OLSALAZINE SODIUM, C.I. Mordant Yellow 5, UNII-ULS5I8J03O, 5,5'-Azobis(salicylic acid), Salicylic acid, 5,5'-azodi-, 3,3'-Azobis(6-hydroxybenzoic acid), 6054-98-4 (di-hydrochloride salt), CID6003770, DB01250, Benzoic acid, 3,3'-azobis(6-hydroxy-, C07323, LS-187112, Benzoic acid, 3,3'-azobis(6-hydroxy-, disodium salt

Molecular Formula: C14H10N2O6Molecular Weight: 302.239000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: ULGVHUUBIHTFAM-PXNMLYILSA-N

• Omeprazole
IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 73590-58-6
Synonyms: omeprazole, Prilosec, Antra, Losec, Omeprazon, Audazol, Omapren, Omepral, Parizac, Mopral, Miol, Demeprazol, Inhibitron, Ulcometion, Belmazol, Ceprandal, Dizprazol, Dudencer, Emeproton, Epirazole

Molecular Formula: C17H19N3O3SMolecular Weight: 345.416060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: SUBDBMMJDZJVOS-UHFFFAOYSA-N

• Omeprazole Sulphone
IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole | CAS Registry Number: 88546-55-8
Synonyms: Omeprazole sulfone, Omeprazole sulphone, CID145900, 1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfonyl)-

Molecular Formula: C17H19N3O4SMolecular Weight: 361.415460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: IXEQEYRTSRFZEO-UHFFFAOYSA-N

• Ondansetron HCL Dihydrate
IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one | CAS Registry Number: 99614-02-5
Synonyms: ondansetron, Zophren, Zofran, Zudan, Zofran ODT, ondansetron (Zofran), Zofran ODT (TN), Prestwick0_001058, Prestwick1_001058, Prestwick2_001058, Prestwick3_001058, TimTec1_001750, Oprea1_435466, Oprea1_852372, BSPBio_001016, CBDivE_008994, Ondansetron, (+,-)-Isomer, Ondansetron (JAN/USP/INN), SPBio_002938, Ondansetron [USAN:INN:BAN]

Molecular Formula: C18H19N3OMolecular Weight: 293.362960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FELGMEQIXOGIFQ-UHFFFAOYSA-N

• Orlistat
IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate | CAS Registry Number: 96829-58-2
Synonyms: orlistat, Orlipastat, Xenical, Tetrahydrolipstatin, Alli, (-)-Tetrahydrolipstatin, Xenical (TN), THLP, Orlipastatum [INN-Latin], Orlistat [USAN:INN], Ambap2777, nchembio.129-comp24, Orlistat (USAN/INN), MLS000759448, MLS001423955, O4139_SIGMA, C29H53NO5, (−)-Tetrahydrolipstatin, Ro-18-0647, CID3034010

Molecular Formula: C29H53NO5Molecular Weight: 495.734820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AHLBNYSZXLDEJQ-FWEHEUNISA-N

• Oseltamivir
IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate | CAS Registry Number: 196618-13-0
Synonyms: oseltamivir, Tamiflu, Tamvir, Oseltamivir phosphate, Oseltamivir [INN:BAN], GS 4104, HSDB 7433, AIDS070972, Tamiflu (*Phosphate salt 1:1*), AIDS-070972, GS-4104, GS4104, DB00198, NCGC00178698-01, Ro-64-0796, LS-57422, C08092, 204255-11-8 (PHOSPHATE SALT 1:1), 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))-

Molecular Formula: C16H28N2O4Molecular Weight: 312.404520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: VSZGPKBBMSAYNT-RRFJBIMHSA-N

• Oxaprozin
IUPAC Name: 3-[4,5-di(phenyl)-1,3-oxazol-2-yl]propanoic acid | CAS Registry Number: 21256-18-8
Synonyms: oxaprozin, Daypro, Alvo, Deflam, Voir, Duraprox, Actirin, Xopane, Daypro (TN), Oxaprozine [INN-French], Oxaprozinum [INN-Latin], Oxaprozina [INN-Spanish], Maybridge1_008800, Prestwick0_001060, Prestwick1_001060, Prestwick2_001060, Prestwick3_001060, Spectrum2_001696, Spectrum3_001078, Spectrum4_001231

Molecular Formula: C18H15NO3Molecular Weight: 293.316600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OFPXSFXSNFPTHF-UHFFFAOYSA-N

• Oxatomide
IUPAC Name: 3-[3-[4-[di(phenyl)methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one | CAS Registry Number: 60607-34-3
Synonyms: oxatomide, Tinset, Oxatimide, Oxatomida, Celtect, Oxetal, Oxatomide (tinset), Celtect (TN), Oxatomidum [INN-Latin], Oxatomida [INN-Spanish], Lopac-O-9387, CBMicro_024634, Lopac0_000924, McN-JR 35443, Oprea1_338592, MLS000028549, Oxatomide (JAN/USAN/INN), O9387_SIGMA, Oxatomide [USAN:BAN:INN:JAN], C27H30N4O

Molecular Formula: C27H30N4OMolecular Weight: 426.553300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BAINIUMDFURPJM-UHFFFAOYSA-N

• Oxcarbazepine
IUPAC Name: 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide | CAS Registry Number: 28721-07-5
Synonyms: Trileptal, OXCARBAZEPINE, Oxacarbazepine, Oxcarbamazepine, Epilexter, Epliga, Timox, Trileptal (TN), Oxcarbazepine [INN], Spectrum_001675, Oxcarbazepinum [INN-Latin], Spectrum2_000483, Spectrum3_001669, Spectrum4_000634, Spectrum5_001869, Oxcarbazepina [INN-Spanish], Oxcarbazepine (USAN/INN), BSPBio_003457, KBioGR_001248, KBioSS_002155

Molecular Formula: C15H12N2O2Molecular Weight: 252.267980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CTRLABGOLIVAIY-UHFFFAOYSA-N

• Oxomemazine
IUPAC Name: 3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine | CAS Registry Number: 3689-50-7
Synonyms: Doxergan, Oxymemazine, Dosegran, Dysedon, Imakol, Doxergan (TN), Oxomemazine (INN), Alimemazine S,S-dioxide, Oxomemazinum [INN-Latin], Oxomemazina [INN-Spanish], Oxomemazine [DCF:INN], Oxomemazine [INN:DCF], EINECS 222-996-8, CID19396, RP 6847, BRN 0289178, 6847 R.P, 6847 R.P., LS-105477, D07401

Molecular Formula: C18H22N2O2SMolecular Weight: 330.444480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QTQPVLDZQVPLGV-UHFFFAOYSA-N

• Oxybutynin
IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate | CAS Registry Number: 5633-20-5
Synonyms: oxybutynin, Oxibutyninum, Oxytrol, Oxybutinin, Oxybutynin chloride, Ditropan, Pollakisu, Cystrin, Oxybutynin Base, Oxytrol (TN), Oxybutynin hydrochloride, Oxybutynine [INN-French], Oxybutyninum [INN-Latin], Oxibutinina [INN-Spanish], Oxybutynin (USAN/INN), Prestwick0_000287, Prestwick1_000287, Prestwick2_000287, Prestwick3_000287, CCRIS 1923

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

InChIKey: XIQVNETUBQGFHX-UHFFFAOYSA-N

• Oxymetazoline
IUPAC Name: 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol | CAS Registry Number: 1491-59-4
Synonyms: oxymetazoline, Oximetazolinum, Oxymethazoline, Rhinofrenol, Oxylazine, Iliadin, Sinerol, Hazol, Nafrine, Navisin, Nezeril, Oxymetozoline, Rhinolitan, Afrin, nchembio705-11, Spectrum_001051, Tocris-1142, Oxymetazolinum [INN-Latin], Prestwick0_000224, Prestwick1_000224

Molecular Formula: C16H24N2OMolecular Weight: 260.374560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WYWIFABBXFUGLM-UHFFFAOYSA-N

• Paclitaxel
Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula: C47H51NO14Molecular Weight: 853.906140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Pamidronic Acid
IUPAC Name: (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid | CAS Registry Number: 40391-99-9
Synonyms: pamidronate, Amidronate, Aredia, PAMIDRONIC ACID, Aminomux, AHPrBP, Bisphosphonate 6, pamidronate calcium, pamidronate monosodium, PAMIDRONATE DISODIUM, ChemDiv1_025240, aminopropanehydroxydiphosphonate, Acide pamidronique [INN-French], Acido pamidronico [INN-Spanish], Acidum pamidronicum [INN-Latin], Pamidronic acid [BAN:INN], Pamidronic acid [INN:BAN], C3H11NO7P2, aminohydroxypropylidene diphosphonate, STOCK1N-12562

Molecular Formula: C3H11NO7P2Molecular Weight: 235.069462 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: WRUUGTRCQOWXEG-UHFFFAOYSA-N

• Pantoprazole
IUPAC Name: 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 102625-70-7
Synonyms: pantoprazole, Pantoprozole, Protonix, Pantoprazole Na, Pantoprazole Sodium, Pantoprazol [INN-Spanish], Pantoprazolum [INN-Latin], Pantoprazole (USAN/INN), Pantoprazole [USAN:BAN:INN], BSPBio_002320, HSDB 7292, SPECTRUM1505818, CHEBI:7915, C16H15F2N3O4S, CID4679, SK&F 96022, BY 1023, SKF-96022, BY-1023, DB00213

Molecular Formula: C16H15F2N3O4SMolecular Weight: 383.369806 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: IQPSEEYGBUAQFF-UHFFFAOYSA-N

• Paroxetine HCl
IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine | CAS Registry Number: 61869-08-7
Synonyms: paroxetine, Seroxat, Paxil, Paxil CR, Frosinor, Motivan, Paxetil, Aropax, Casbol, Paroxetine Hcl, PaxPar, [3H]Paroxetine, Paroxetine (TN), (-)-Paroxetine, Paroxetinum [INN-Latin], Paroxetina [INN-Spanish], Spectrum_001752, SpecPlus_000788, Paroxetine (USP/INN), Prestwick3_000851

Molecular Formula: C19H20FNO3Molecular Weight: 329.365403 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N

• Penciclovir
IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one | CAS Registry Number: 39809-25-1
Synonyms: penciclovir, Denavir, Vectavir, Pencyclovir, Adenovir, Denavir (TN), Penciclovirum [INN-Latin], Penciclovir (USAN/INN), MLS000759422, MLS001424110, BRL 39123, Penciclovir [USAN:BAN:INN], Penciclovir [USAN:INN:BAN], CCRIS 9213, BRL-39123, AIDS070978, AIDS093112, AIDS093113, AIDS093114, C10H15N5O3

Molecular Formula: C10H15N5O3Molecular Weight: 253.257800 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: JNTOCHDNEULJHD-UHFFFAOYSA-N

• Pergolide
Synonyms: pergolide, Permax, Pergolidum [INN-Latin], Pergolida [INN-Spanish], nchembio873-comp45, Pergolide Methanesulfonate, Spectrum_001647, Pergolide [INN:BAN], PERGOLIDE MESYLATE, Prestwick0_000295, Prestwick1_000295, Prestwick2_000295, Prestwick3_000295, Spectrum2_001970, Spectrum3_001588, Spectrum4_000835, Spectrum5_001649, Biomol-NT_000025, Lopac0_000984, BSPBio_000230

Molecular Formula: C19H26N2SMolecular Weight: 314.488140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YEHCICAEULNIGD-MZMPZRCHSA-N

• Pergolide mesylate
Synonyms: Permax, PERGOLIDE MESYLATE, pergolide, Parkotil, Celance, Pharken, Nopar, Pergolide mesilate, Prestwick_652, Permax (TN), Pergolide Methanesulfonate, Pergolide mehanesulfonate, Pergolide mesylate [USAN], PERGOLIDE MESYLATE SALT, Pergolide mesilate (JAN), Pergolide mesylate (USP), MLS000069837, MLS001148155, P8828_SIGMA, SPECTRUM1503269

Molecular Formula: C20H30N2O3S2Molecular Weight: 410.593800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UWCVGPLTGZWHGS-ZORIOUSZSA-N

• Perindopril Erbumine
IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid; 2-methylpropan-2-amine | CAS Registry Number: 107133-36-8
Synonyms: ACEON, PERINDOPRIL ERBUMINE, PERINDOPRIL, Aceon (TN), Perindopril tert-butylamine, Perindopril erbumine [USAN], SPECTRUM1505212, CHEBI:8025, Perindopril erbumine (JAN/USAN), C19H32N2O5.C4H11N, CID441313, McN-A-2833-109, NCGC00178276-01, LS-82690, TL8000252, C07707, D00624, S-9490-3, (2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1), (2S,3(infinity)S,7(infinity)S)-1-[(S)-N-[(S)-1-Carboxybutyl]alanyl]hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1)

Molecular Formula: C23H43N3O5Molecular Weight: 441.604620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: IYNMDWMQHSMDDE-MHXJNQAMSA-N

• Pilocarpine
IUPAC Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one | CAS Registry Number: 92-13-7
Synonyms: pilocarpine, Pilocarpin, Pilokarpin, Isoptocarpine, Pilocarpol, Pilokarpol, Syncarpine, Ocusert pilo, isopilocarpine, Adsorbocarpine, Spersacarpine, Almocarpine, Ocusert, Salagen, Epicar, Pilocarpine HCl, Ocusert pilo-20, Ocusert P 20, Pilocarpine muriate, Pilocarpine nitrate

Molecular Formula: C11H16N2O2Molecular Weight: 208.256940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QCHFTSOMWOSFHM-WPRPVWTQSA-N

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

Molecular Formula: C19H20N2O3SMolecular Weight: 356.438700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-N

• Pivmecillinam
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 32886-97-8
Synonyms: Coactabs, Amdinocillin Pivoxil, Coactabs (TN), Pivmecillinam (INN), Prestwick0_001053, Prestwick1_001053, Prestwick2_001053, Prestwick3_001053, Amdinocillin pivoxil (USAN), BSPBio_001006, SPBio_002933, BPBio1_001108, CHEBI:51210, amdinocillin, pivaloyloxymethyl ester, CID115163, NCGC00016813-01, NCGC00179344-01, CAS-32887-03-9, AB00514713, D02889

Molecular Formula: C21H33N3O5SMolecular Weight: 439.568820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: NPGNOVNWUSPMDP-HLLBOEOZSA-N

• Pizotifen
Synonyms: Sandomigran, PIZOTYLINE, Litec, Sandomygran, Pizotifene, Pizotylline, Polomigran, Sanomigran, Pizotifan, Sanmigran, Pizotyline [USAN], Pizotifen (INN), Sandomigran (TN), Pizotyline (USAN), Pizotifene [INN-French], Pizotifenum [INN-Latin], Pizotifeno [INN-Spanish], Biomol-NT_000102, Oprea1_684518, BPBio1_001391

Molecular Formula: C19H21NSMolecular Weight: 295.441740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FIADGNVRKBPQEU-UHFFFAOYSA-N

• Plicamycin
IUPAC Name: 2-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one | CAS Registry Number: 18378-89-7
Synonyms: mithramycin a, plicamycin, Mitramycin, Mithracin, Aureolic acid, Aurelic acid, MITHRAMYCIN, Antibiotic LA 7017, Neuro_000012, NSC24559, CID230076, PA-144, NCGC00181147-01, NCI60_001964, A-2371, 1(2H)-Anthracenone, 6-[[2,6-dideoxy-3-O-(2,6-dideoxy-.beta.-D-arabino-hexo pyranosyl)-.beta.-D-arabino-hexopyranosyl]oxy]-2-[(O-2,6- dideoxy-3-C-methyl-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4) -O-2,6-dideoxy-.alpha.-D-lyxo-hexopyranosyl-(1.fwdarw.3) -2,6-dideoxy-.beta.-D-arabino-hexopyranosyl)oxy]-3-(3,4- dihydroxy-1-methoxy-2-oxopentyl)-3,4-dihydro-8,9-dihydroxy- 7-methyl-, [2S-[2.alpha.,3.beta.(1R*,3R*,4S*)]]-

Molecular Formula: C52H76O24Molecular Weight: 1085.145440 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 24

InChIKey: CFCUWKMKBJTWLW-UHFFFAOYSA-N

• Pramipexole
IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | CAS Registry Number: 104632-26-0
Synonyms: pramipexole, Pramipexol, Mirapex, (-)-Pramipexole, Pramipexol [Spanish], Pramipexolum [Latin], Spectrum_001838, SpecPlus_000820, Spectrum5_001453, Pramipexole (USAN/INN), Pramipexole [USAN:INN], SUD919CL2Y, KBioSS_002343, MLS000758250, MLS001423952, DivK1c_006916, CHEBI:8356, C10H17N3S, KBio1_001860, KBio2_002340

Molecular Formula: C10H17N3SMolecular Weight: 211.327080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FASDKYOPVNHBLU-ZETCQYMHSA-N

• Prasugrel
IUPAC Name: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate | CAS Registry Number: 150322-43-3
Synonyms: Effient, Efient, Prasugrel [INN], CS 747, CS-747, CID6918456, LY-640315, Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-

Molecular Formula: C20H20FNO3SMolecular Weight: 373.441103 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DTGLZDAWLRGWQN-UHFFFAOYSA-N

• Pravastatin
IUPAC Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid | CAS Registry Number: 81093-37-0
Synonyms: pravastatin, Eptastatin, Pravachol, Pravastatine [French], Pravastatinum [Latin], Pravastatina [Spanish], nchembio790-comp15, Pravastatin Sodium Salt, PRAVASTATIN SODIUM, Pravastatin [INN:BAN], CCRIS 7557, Pravastatin tert-Octylamine Salt, RMS-431, C23H36O7, CID54687, CS-514, DB00175, LS-94713, SL-00674, SQ-31000

Molecular Formula: C23H36O7Molecular Weight: 424.527740 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: TUZYXOIXSAXUGO-PZAWKZKUSA-N

• Prednisone
IUPAC Name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione | CAS Registry Number: 53-03-2
Synonyms: prednisone, Dehydrocortisone, Deltacortisone, Decortancyl, Deltacortone, Hostacortin, Prednilonga, Supercortil, Ultracorten, Ultracortene, Ancortone, Bicortone, Cortidelt, Decortisyl, Deltasone, Diadreson, Encortone, Meticorten, Prednison, Prednizon

Molecular Formula: C21H26O5Molecular Weight: 358.428140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XOFYZVNMUHMLCC-ZPOLXVRWSA-N

• Primidone
IUPAC Name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione | CAS Registry Number: 125-33-7
Synonyms: primidone, Primaclone, Mysoline, Mylepsinum, Misodine, Mizodin, Sertan, Hexadiona, Hexamidine, Lepimidin, Liskantin, Prilepsin, Primakton, Primoline, Prysoline, Lepsiral, Majsolin, Milepsin, Misolyne, Mylepsin

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DQMZLTXERSFNPB-UHFFFAOYSA-N

• Probenecid
IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid | CAS Registry Number: 57-66-9
Synonyms: probenecid, Benemid, Probecid, Benecid, Benuryl, Probenemid, Prolongine, Ethamide, Probexin, Tubophan, Uricosid, Apurina, Proben, Probenecid acid, Probampacin, Benemide, Probalan, Probenid, Robenecid, Synergid R

Molecular Formula: C13H19NO4SMolecular Weight: 285.359260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DBABZHXKTCFAPX-UHFFFAOYSA-N


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