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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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• Letrozole
IUPAC Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile | CAS Registry Number: 112809-51-5
Synonyms: letrozole, Femara, Letrozol, Femera, F?mara, Femara (TN), Letrozole [USAN:INN], Prestwick0_001025, Prestwick1_001025, Prestwick2_001025, Prestwick3_001025, Novartis Brand of Letrozole, Letrozole (JAN/USP/INN), BSPBio_001209, MLS000759455, MLS001424038, SPBio_003070, CGS 20267, CGS-20267, BPBio1_001331

Molecular Formula: C17H11N5Molecular Weight: 285.302740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: HPJKCIUCZWXJDR-UHFFFAOYSA-N

• Leuprolide
IUPAC Name: acetic acid; N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 53714-56-0
Synonyms: Lupron, leuprolide, Leuprorelin, Enantone, Eligard, Leuplin, Leuprin, Procrin, Lucrin, Viadur, Leuprolide acetate, Leuplin depot, Procren Depot, Lupron Depot, Uno-Enantone, Depo-Lupron, Lupron PED, Leuprorelin acetate, Acetate, Leuprolide, Leuprolide Monoacetate

Molecular Formula: C59H84N16O14Molecular Weight: 1241.397060 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 20

InChIKey: ATCUBNJYGKGZGL-GZROYGCLSA-N

• Levetiracetam
IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanamide | CAS Registry Number: 102767-28-2
Synonyms: Keppra, Etiracetam, Torleva, Keppra XR, etiracetam, S-isomer, Levetiracetam [INN], Etiracetam levo-isomer, ucb L060, SIB-S1, Levetiracetamum [INN-Latin], MLS000759403, MLS001424069, UCB-L059, C8H14N2O2, UCB-L 059, CID5284583, CPD000466303, SAM001246539, SMR000466303, (2S)-2-(2-oxopyrrolidin-1-yl)butanamide

Molecular Formula: C8H14N2O2Molecular Weight: 170.208960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HPHUVLMMVZITSG-LURJTMIESA-N

• Levocetirizine
IUPAC Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid | CAS Registry Number: 130018-77-8
Synonyms: Xusal, Xyzal, cetirizine, Xazal, (-)-Cetirizine, Xazal (TN), Levocetirizine (INN), Levocetirizine [INN], Levocetirizine [INN:BAN], MLS000759420, MLS001401375, PDSP1_000117, PDSP1_000269, PDSP2_000117, PDSP2_000268, CID1549000, CPD000466315, LS-11410, SAM001246575, SMR000466315

Molecular Formula: C21H25ClN2O3Molecular Weight: 388.887800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZKLPARSLTMPFCP-OAQYLSRUSA-N

• Levofloxacin
Synonyms: LEVOFLOXACIN, Levaquin, Iquix, Elequine, Cravit, Quixin, L-Ofloxacin, R-Ofloxacin, Floxacin, Oftaquix, Tavanic, d-Levofloxacin, (S)-Ofloxacin, (-)-Ofloxacin, Ofloxacin S-(-)-form, (R)-isomer, S-(-)-Ofloxacin, (S)-(-)-Ofloxacin, Ambap1065, Spectrum_001719

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

InChIKey: GSDSWSVVBLHKDQ-JTQLQIEISA-N

• Levomepromazine
IUPAC Name: (2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine | CAS Registry Number: 60-99-1
Synonyms: METHOTRIMEPRAZINE, Levoprome, 2-Methoxytrimeprazine, LEVOPROME (TN), Methotrimeprazine (USP), Prestwick0_000797, Prestwick1_000797, Prestwick2_000797, Prestwick3_000797, Levomepromazine (USAN/INN), BSPBio_000934, SPBio_002873, BPBio1_001028, CHEBI:6838, AIDS001615, AIDS-001615, NSC226516 (FREE BASE), 60-99-1 (FREE BASE), DB01403, NCGC00179370-01

Molecular Formula: C19H24N2OSMolecular Weight: 328.471660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VRQVVMDWGGWHTJ-CQSZACIVSA-N

• Linezolid
IUPAC Name: N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide | CAS Registry Number: 165800-03-3
Synonyms: linezolid, Zyvox, Zyvoxam, Zyvoxid, Zyvoxa, Zyvox (TN), Linezolid [USAN:INN], Linezolid & VRC3375, Linezolid (JAN/USAN/INN), MLS000759444, MLS001424075, PNU-100766, C16H20FN3O4, HSDB 7478, AIDS070944, AIDS110813, AIDS-070944, AIDS-110813, CID441401, ZINC02008866

Molecular Formula: C16H20FN3O4Molecular Weight: 337.346103 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: TYZROVQLWOKYKF-ZDUSSCGKSA-N

• Lisinopril Dihydrate
IUPAC Name: (2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate | CAS Registry Number: 83915-83-7
Synonyms: lisinopril, Renacor, Prinivil, Prinzide, Zestril, Lisinopril dihydrate, Lysinopril, Zestoretic, Mixture Name, Lisinopril hydrate, Prinivil (TN), Lisinopril (USP), Prestwick_613, Zestril (TN), Lisinopril hydrate (JP15), HSDB 6852, CHEBI:6503, C21H31N3O5, Lisinopril [USAN:BAN:INN:JAN], Lisinopril [USAN:INN:BAN:JAN]

Molecular Formula: C21H35N3O7Molecular Weight: 441.518500 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: CZRQXSDBMCMPNJ-ZUIPZQNBSA-N

• Lofepramine Hydrochloride
IUPAC Name: 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone hydrochloride | CAS Registry Number: 26786-32-3
Synonyms: Gamonil, lofepramine hydrochloride, Gamanil, Amplit, LOFEPRAMINE, Iopramine hydrochloride, Clopepramine hydrochloride, Amplit (TN), Leo 640 hydrochloride, C26H27ClN2O.HCl, MLS001423956, WHR 2908A, L8792_SIGMA, CHEBI:31780, EINECS 248-002-2, Lofepramine hydrochloride [USAN:JAN], DB-2182, Lofepramine hydrochloride (JAN/USAN), CPD000469292, LS-13418

Molecular Formula: C26H28Cl2N2OMolecular Weight: 455.419320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZWZIQPOLMDPIQM-UHFFFAOYSA-N

• Loperamide Hydrochloride
IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-di(phenyl)butanamide hydrochloride | CAS Registry Number: 34552-83-5
Synonyms: Imodium, Loperamide hydrochloride, Loperamide HCl, Dissenten, Fortasec, Suprasec, Lopemid, Lopemin, Loperyl, Imosec, Tebloc, Imodium A-D, Maalox Antidiarrheal, BLOX, BREK, Prestwick_302, Imodium (TN), IMODIUM ADVANCED, C29H33ClN2O2.HCl, MLS000069779

Molecular Formula: C29H34Cl2N2O2Molecular Weight: 513.498460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PGYPOBZJRVSMDS-UHFFFAOYSA-N

• Lopinavir
IUPAC Name: (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide | CAS Registry Number: 192725-17-0
Synonyms: Aluviran, Kaletra, Koletra, Aluvia, Mixture Name, 1mui, ABT-378, Component of Kaletra, 2o4s, 2q5k, ABT 378, Lopinavir (JAN/USAN/INN), Lopinavir [USAN:INN:BAN], ABT-378, LOPINAVIR, RS-346, AIDS032937, C37H48N4O5, AIDS-032937, ABT 157378, DB01601

Molecular Formula: C37H48N4O5Molecular Weight: 628.800820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: KJHKTHWMRKYKJE-SUGCFTRWSA-N

• Loracarbef Sodium
IUPAC Name: 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate | CAS Registry Number: 121961-22-6
Synonyms: loracarbef, Lorabid, Loracarbef monohydrate, Loracarbef hydrate, Loracarbef (USP), Lorabid (TN), LCBF, UNII-3X11EVM5SU, LY 163892 monohydrate, C16H16ClN3O4, CID60746, LS-22639, C08109, D00916, 1-Azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-chloro-8-oxo-, monohydrate, (6R-(6alpha,7beta(R*)))-, (6R,7S)-7-((R)-2-Amino-2-phenylacetamido)-3-chloro-8-oxo-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, monohydrate, 1-Azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-chloro-8-oxo-,monohydrate, (6R-(6-alpha,7-beta(R*)))-

Molecular Formula: C16H18ClN3O5Molecular Weight: 367.784220 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: GPYKKBAAPVOCIW-HZKXUOCSSA-N

• Loratadine
Synonyms: loratadine, Claritin, Clarityne, Loratidine, Clarityn, Civeran, Lisino, Versal, Allertidin, Histaloran, Polaratyne, Aerotina, Alerpriv, Anhissen, Bonalerg, Claratyne, Clarinase, Claritine, Fristamin, Lertamine

Molecular Formula: C22H23ClN2O2Molecular Weight: 382.883220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JCCNYMKQOSZNPW-UHFFFAOYSA-N

• Losartan
IUPAC Name: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol | CAS Registry Number: 114798-26-4
Synonyms: losartan, Lortaan, Cozaar, Hyzaar, Mixture Name, Potassium, Losartan, Losartan [INN:BAN], Spectrum_001713, Losartan monopotassium salt, LOSARTAN POTASSIUM, Spectrum2_001677, Spectrum3_000998, Spectrum4_001126, Spectrum5_001466, DUP 89, DuP-753, DuP753, C22H23ClN6O, Monopotassium Salt, Losartan, Salt, Losartan Monopotassium

Molecular Formula: C22H23ClN6OMolecular Weight: 422.910620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: PSIFNNKUMBGKDQ-UHFFFAOYSA-N

• Lovastatin
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] (2S)-2-methylbutanoate | CAS Registry Number: 75330-75-5
Synonyms: lovastatin, Mevacor, mevinolin, Mevinacor, Lovalord, Monacolin K, Nergadan, Altocor, Lovalip, Artein, Hipovastin, Lovasterol, Altoprev, Cholestra, Closterol, Lestatin, Lipofren, Lovastin, Tecnolip, Teroltrat

Molecular Formula: C24H36O5Molecular Weight: 404.539640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PCZOHLXUXFIOCF-BXMDZJJMSA-N

• Masoprocol (Nordihydroguaiaretic)
IUPAC Name: 4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol | CAS Registry Number: 27686-84-6
Synonyms: Masoprocol, Actinex, meso-NDGA, Masoprocolum, Mixture Name, NDGA, Actinex (TN), NORDIHYDROGUAIARETIC ACID, Masoprocolum [INN-Latin], meso-Nordihydroguaiaretic acid, Dihydronorguaiaretic acid, Nordihydroguairaretic acid, Nordihyolroguaiaretic acid, Masoprocol (USAN/INN), Masoprocol [USAN:INN], UNII-7BO8G1BYQU, Lopac-N-5023, Lopac0_000877, CHX 100, CHX-100

Molecular Formula: C18H22O4Molecular Weight: 302.364880 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: HCZKYJDFEPMADG-TXEJJXNPSA-N

• Mebendazole and Polymorph C
IUPAC Name: methyl N-[6-(benzoyl)-1H-benzimidazol-2-yl]carbamate | CAS Registry Number: 31431-39-7
Synonyms: mebendazole, Vermox, Telmin, Mebenvet, Vermirax, Mebenoazole, Ovitelmin, Pantelmin, Bantenol, Mebutar, Lomper, Vermicidin, Besantin, Verpanyl, Sufil, Noverme, Versid, Mebendazol, Madicure, MBDZ

Molecular Formula: C16H13N3O3Molecular Weight: 295.292720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OPXLLQIJSORQAM-UHFFFAOYSA-N

• Mecillinam
IUPAC Name: (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 32887-01-7
Synonyms: Coactin, AMDINOCILLIN, Penicillin HX, Hexacillin, Selexidin, Selexid, Amdinocillin [USAN], Mecillinam (INN), Coactin (TN), Amdinocillin (USAN), Amdinocillin Mecillinam, Ambap5956, Mecilinamo [INN-Spanish], Mecillinamum [INN-Latin], MLS000759478, MLS001424041, C15H23N3O3S, CHEBI:51208, EINECS 251-277-1, FL 1060

Molecular Formula: C15H23N3O3SMolecular Weight: 325.426420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BWWVAEOLVKTZFQ-NTZNESFSSA-N

• Meclizine
IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine | CAS Registry Number: 569-65-3
Synonyms: meclizine, Meclozine, Histamethizine, Histametizine, Histametizyne, Parachloramine, Histamethine, Bonadettes, Peremesin, Postafene, Vomisseis, Calmonal, Chiclida, Itinerol, Monamine, Navicalm, Suprimal, Travelon, Vibazine, Ancolan

Molecular Formula: C25H27ClN2Molecular Weight: 390.948280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OCJYIGYOJCODJL-UHFFFAOYSA-N

• Mefenamic Acid
IUPAC Name: 2-(2,3-dimethylanilino)benzoic acid | CAS Registry Number: 61-68-7
Synonyms: mefenamic acid, Ponstel, Parkemed, Mefacit, Ponalar, Ponstan, Coslan, Vialidon, Bonabol, Lysalgo, Tanston, Mephenamic acid, Methenamic acid, Bafameritin-M, Tamany Bonsan, Pontal, Mephenaminic acid, Ponstan forte, Mefedolo, Mycasaal

Molecular Formula: C15H15NO2Molecular Weight: 241.285100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HYYBABOKPJLUIN-UHFFFAOYSA-N

• Meloxicam
IUPAC Name: (3E)-3-[hydroxy-[(5-methyl-1,3-thiazol-2-yl)amino]methylidene]-2-methyl-1,1-dioxobenzo[e]thiazin-4-one | CAS Registry Number: 71125-38-7
Synonyms: meloxicam, Mobic, Mobec, Movalis, miloxicam, Metacam, Mobicox, Parocin, Masflex, Movatec, Movicox, Tenaron, Uticox, Meloxicamum [Latin], Mobic (TN), UH-AC 62XX, Abbott brand of meloxicam, Squibb brand of meloxicam, Promeco brand of meloxicam, Meloxicam [USAN:BAN:INN]

Molecular Formula: C14H13N3O4S2Molecular Weight: 351.400720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: DWMREKMVXIFPFM-ACCUITESSA-N

• Memantine
IUPAC Name: 3,5-dimethyladamantan-1-amine | CAS Registry Number: 19982-08-2
Synonyms: memantine, Memantin, Ebixa, DMAA, Memantine [INN], Memantine HCL, Memantinum [INN-Latin], Memantina [INN-Spanish], Spectrum_000607, Memantine [INN:BAN], MEMANTINE HYDROCHLORIDE, Prestwick0_000978, Prestwick1_000978, Prestwick2_000978, Prestwick3_000978, Spectrum2_001408, Spectrum3_000923, Spectrum4_001022, Spectrum5_001355, CBMicro_020348

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

InChIKey: BUGYDGFZZOZRHP-UHFFFAOYSA-N

• Mepenzolate Bromide
IUPAC Name: (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide | CAS Registry Number: 76-90-4
Synonyms: Cantil, Gastropidil, Cantilaque, Colibantil, Colopiril, Trancolon, Cantilon, Tralanta, Delevil, Eftoron, Colum, mepenzolate, Trokonil, MEPENZOLATE BROMIDE, Cantril, Prestwick_100, Cantil (TN), mepenzolic acid, bromine salt, MLS001076678, SPECTRUM1500383

Molecular Formula: C21H26BrNO3Molecular Weight: 420.340040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JRRNZNSGDSFFIR-UHFFFAOYSA-M

• Mequitazine
IUPAC Name: 10-(1-azabicyclo[2.2.2]octan-8-ylmethyl)phenothiazine | CAS Registry Number: 29216-28-2
Synonyms: mequitazine, Primalan, Virginan, Mircol, Metaplexan, Instotal, Vigigan, Quitadrill, Kitazemin, Mequitazina [Spanish], Kitazemin (TN), Mequitazinum [INN-Latin], Mequitazina [INN-Spanish], mequitazine hydrochloride, Mequitazine (JP15/INN), LM 209, MLS000757058, MLS001201790, NSC303612, Italfarmaco brand of mequitazine

Molecular Formula: C20H22N2SMolecular Weight: 322.467080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HOKDBMAJZXIPGC-UHFFFAOYSA-N

• Metformin
IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine | CAS Registry Number: 657-24-9
Synonyms: metformin, Diabetosan, Haurymelin, Metiguanide, Fluamine, Flumamine, Gliguanid, Glumetza, Glifage, Islotin, Diabex, Melbin, Siofor, Dimethylbiguanide, Dimethyldiguanide, Glucophage, Metformin HCL, Dimethylbiguanidine, 1,1-Dimethylbiguanide, Metformina [DCIT]

Molecular Formula: C4H11N5Molecular Weight: 129.163640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N

• Methimazole
IUPAC Name: 3-methyl-1H-imidazole-2-thione | CAS Registry Number: 60-56-0
Synonyms: methimazole, thiamazole, Mercazolyl, Mercazole, Tapazole, Mercaptazole, Merkazolil, Methimazol, Metothyrin, Metothyrine, Thymidazol, Thymidazole, Strumazol, Thiamazol, Favistan, Metazolo, Danantizol, Frentirox, Mercasolyl, Merkastan

Molecular Formula: C4H6N2SMolecular Weight: 114.168840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: PMRYVIKBURPHAH-UHFFFAOYSA-N

• Methylprednisolone Acetate
IUPAC Name: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate | CAS Registry Number: 53-36-1
Synonyms: Depo-medrol, Mepred, M-Predrol, Medrol acetate, Depo-Medrate, Depo-Medrone, Medrol Enpak, Depometicort, Demethyl, Unidrol, Neo-medrol, Depo-Medrin, Lemod Depo, Depomedrone, Medrol, Methylprednisolone acetate, depMedalone 40, depMedalone 80, D-Med, Depot-Medrol

Molecular Formula: C24H32O6Molecular Weight: 416.507280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: PLBHSZGDDKCEHR-LFYFAGGJSA-N

• Metolazone
IUPAC Name: 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide | CAS Registry Number: 17560-51-9
Synonyms: metolazone, Zaroxolyn, Metalozone, Metenix, Microx, Mykrox, Oldren, Diulo, Zaroxolyn (TN), Prestwick_333, Metolazonum [INN-Latin], Metolazona [INN-Spanish], Spectrum_000456, Prestwick0_000112, Prestwick1_000112, Prestwick2_000112, Prestwick3_000112, Spectrum2_001741, Spectrum4_000229, Spectrum5_001237

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

InChIKey: AQCHWTWZEMGIFD-UHFFFAOYSA-N

• Metronidazole
IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol | CAS Registry Number: 443-48-1
Synonyms: metronidazole, Flagyl, Metronidazol, Anagiardil, Gineflavir, Metronidaz, Novonidazol, Sanatrichom, Trichocide, Flagemona, Giatricol, Meronidal, Takimetol, Trichazol, Trichomol, Trichopol, Trikacide, Acromona, Deflamon, Flagesol

Molecular Formula: C6H9N3O3Molecular Weight: 171.153960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-N

• Midazolam
IUPAC Name: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine | CAS Registry Number: 59467-70-8
Synonyms: midazolam, Dormicum, Versed, Midazolam Base, Midazolam Hcl, Midazolam maleate, Dormicum (TN), Midazolamum [INN-Latin], nchembio747-comp32, Midazolam (JAN/INN), DEA No. 2884, UC429_SIGMA, C18H13ClFN3, Midazolam [INN:BAN:JAN], MIDAZOLAM HYDROCHLORIDE, EINECS 261-774-5, CID4192, BRN 0625572, Ro 21-3981, DB00683

Molecular Formula: C18H13ClFN3Molecular Weight: 325.767323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DDLIGBOFAVUZHB-UHFFFAOYSA-N

• Mifepristone
IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 84371-65-3
Synonyms: mifepristone, Mifeprex, Mifegyne, Mifepriston, Pictovir, Corlux, Mifepristonum [Latin], Mifepristona [Spanish], Mifeprex (TN), Prestwick_570, RU-486, Prestwick0_000299, Prestwick1_000299, Prestwick2_000299, Prestwick3_000299, Spectrum5_002045, RU486, Mifepristone (USAN/INN), Lopac0_000801, BSPBio_000238

Molecular Formula: C29H35NO2Molecular Weight: 429.593700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VKHAHZOOUSRJNA-GCNJZUOMSA-N

• Mirtazapine
Synonyms: mirtazapine, Remeron, Mirtazepine, Remeron SolTab, Mepirzepine, Remergil, Remergon, Zispin, 6-Azamianserin, Azamianserin, Mepirzapin, Mirtazipine, Promyrtil, Rexer, Remeron (TN), Mirtazapinum [INN-Latin], Mirtazapina [INN-Spanish], Mirtazapine [USAN:BAN:INN], MLS000759460, MLS001076676

Molecular Formula: C17H19N3Molecular Weight: 265.352860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-N

• Misoprostol
IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate | CAS Registry Number: 59122-46-2
Synonyms: misoprostol, Cytotec, Arthrotec, Isprelor, Misopess, GyMiso, Cytotec (TN), Ambap991, Misoprostolum [INN-Latin], MLS000028863, M6807_SIGMA, Misoprostol (JAN/USAN/INN), CCRIS 6859, XP-16J, HSDB 3573, Misoprostol [USAN:BAN:INN:JAN], SC-29333, DB00929, BRN 4155643, SMP1_000193

Molecular Formula: C22H38O5Molecular Weight: 382.534120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OJLOPKGSLYJEMD-URPKTTJQSA-N

• Mitoxantrone HCL
IUPAC Name: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione dihydrochloride | CAS Registry Number: 70476-82-3
Synonyms: Novantron, mitoxantrone, Novantrone, Immunex, Bisantrone, Onkotrone, Ralenova, Eslep, Mitoxantrone hydrochloride, Mitoxantrone dihydrochloride, DHAD, Novantron (TN), Prestwick_571, Mitozantrone hydrochloride, Mitroxantrone Hydrochloride, CCRIS 2592, HSDB 6543, M6545_SIGMA, SPECTRUM1503278, C22H28N4O6.2HCl

Molecular Formula: C22H30Cl2N4O6Molecular Weight: 517.402800 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 10

InChIKey: ZAHQPTJLOCWVPG-UHFFFAOYSA-N

• Mizolastine
IUPAC Name: 2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one | CAS Registry Number: 108612-45-9
Synonyms: Mizollen, Zolistam, Zolistan, Mizolen, Zolim, Mizolastine [INN], Mizollen (TN), Mizolastinum [INN-Latin], Mizolastina [INN-Spanish], Mizolastine (JAN/INN), C24H25FN6O, MKC-431, CID65906, KS-1139, NCGC00181013-01, SL-85.0324, LS-135935, SL 85.0324, D01117, 2-((1-(1-(p-Fluorobenzyl)-2-benzimidazolyl)-4-piperidyl)methylamino)-4(3H)-pyrimidinone

Molecular Formula: C24H25FN6OMolecular Weight: 432.493303 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: PVLJETXTTWAYEW-UHFFFAOYSA-N

• Moclobemide
IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamide | CAS Registry Number: 71320-77-9
Synonyms: moclobemide, Aurorix, Moclamine, Moclobemid, Moclobamide, Manerix, Deprenorm, Moclaime, Moclamide, Moclobeta, Moclodura, Moclonorm, Aurorex, Feraken, NovoMoclobemide, Moclix, NuMoclobemide, Arima, Rimoc, Apo Moclobemide

Molecular Formula: C13H17ClN2O2Molecular Weight: 268.739280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-N

• Modafinil
IUPAC Name: 2-[di(phenyl)methylsulfinyl]acetamide | CAS Registry Number: 68693-11-8
Synonyms: modafinil, Provigil, Modiodal, Attenace, Modasomil, Modavigil, Pulmicort, Alertec, Sparlon, Vigil, (+-)-Modafinil, Modafinilum [Latin], Modafinilo [Spanish], Provigil (TN), Armodafinil [INN], Modafinil [USAN:INN], Ambap1002, Spectrum2_001712, 2-(Benzhydrylsulfinyl)acetamide, DEA No. 1680

Molecular Formula: C15H15NO2SMolecular Weight: 273.350100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YFGHCGITMMYXAQ-UHFFFAOYSA-N

• Moexipril
IUPAC Name: (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | CAS Registry Number: 103775-10-6
Synonyms: MOEXIPRIL, Moexipril HCL, Moexiprilum [INN-Latin], Moexipril [INN:BAN], MOEXIPRIL HYDROCHLORIDE, CID91270, CI-925, DB00691, LS-194436, C07704, (3S)-2-((2S)-N-((1S)-1-Carboxy-3-phenylpropyl)alanyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid, 2-ethyl ester, (3S)-2-(N-{(1S)-1-[(ethyloxy)carbonyl]-3-phenylpropyl}-L-alanyl)-6,7-bis(methyloxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 109715-88-0

Molecular Formula: C27H34N2O7Molecular Weight: 498.568060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: UWWDHYUMIORJTA-HSQYWUDLSA-N

• Mometasone Furoate
IUPAC Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate | CAS Registry Number: 83919-23-7
Synonyms: mometasone furoate, Asmanex, Elocon, Prestwick_924, Asmanex (TN), Elocon (TN), mometasone 17-furoate, Prestwick0_000572, Prestwick1_000572, Prestwick2_000572, Prestwick3_000572, BSPBio_000384, MLS002153879, SPBio_002603, Mometasone furoate (JAN/USP), BPBio1_000424, CHEBI:47564, NCGC00179578-01, SMR001233233, TL8005500

Molecular Formula: C27H30Cl2O6Molecular Weight: 521.429500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WOFMFGQZHJDGCX-ZULDAHANSA-N

• Montelukast
IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid | CAS Registry Number: 158966-92-8
Synonyms: montelukast, Singulair, Montelukast [INN:BAN], C35H36ClNO3S, CHEBI:50730, DB00471, MK 0476, MK-0476, LS-173539, C07482, (R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid, Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, Cyclopropaneacetic acid, 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, (R-(E))-, {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid, {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid, 1-[[[(1 R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl] phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropaneacetic acid, 151767-02-1, 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid, sodium 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropylacetate

Molecular Formula: C35H36ClNO3SMolecular Weight: 586.183240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N

• Moxonidine
IUPAC Name: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine | CAS Registry Number: 75438-57-2
Synonyms: Norcynt, Nucynt, MOXONIDINE, Cynt, moxonidin, Normoxocin, Physiotens, Lomox, Moxon, Zint, Moxonidinum [Latin], Moxonidina [Spanish], nchembio705-9, Cynt (TN), Moxonidine hydrochloride, Moxonidine (USAN/INN), Prestwick0_001016, Prestwick1_001016, Prestwick2_001016, Prestwick3_001016

Molecular Formula: C9H12ClN5OMolecular Weight: 241.677480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: WPNJAUFVNXKLIM-UHFFFAOYSA-N

• Nabumetone
IUPAC Name: 4-(6-methoxynaphthalen-2-yl)butan-2-one | CAS Registry Number: 42924-53-8
Synonyms: nabumetone, Relafen, Listran, Relifex, Nabumetona, Arthaxan, Mebutan, Relifen, Relif, nabumeton, Consolan, Dolsinal, Flambate, Unimetone, Balmox, Prodac, Arthraxan, Nabucox, Nabuser, Apo-Nabumetone

Molecular Formula: C15H16O2Molecular Weight: 228.286340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BLXXJMDCKKHMKV-UHFFFAOYSA-N

• Naltrexone
Synonyms: naltrexone, Vivitrex, Vivitrol, Celupan, ReVia, Depade, Trexan, Vivitrol (TN), naltrexone (ReVia), Naltrexonum [INN-Latin], Naltrexona [INN-Spanish], Naltrexone (USAN/INN), Prestwick0_000116, Prestwick1_000116, Prestwick2_000116, Prestwick3_000116, CCRIS 3506, N-Cyclopropylmethylnoroxymorphone, BSPBio_000132, HSDB 6750

Molecular Formula: C20H23NO4Molecular Weight: 341.400920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DQCKKXVULJGBQN-XFWGSAIBSA-N

• Naringenin
IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 480-41-1
Synonyms: naringenin, naringetol, pelargidanon, salipurpol, Naringenine, Salipurol, Asahina, (S)-Naringenin, (-)-Naringenin, flavanone naringenin, pelargidanon 1602, 4',5,7-Trihydroxyflavanone, NARINGENIN-CMPD, YSO1, Spectrum_000247, Spectrum2_000325, Spectrum3_000567, Spectrum4_000124, Spectrum5_001423, (-)-(2S)-Naringenin

Molecular Formula: C15H12O5Molecular Weight: 272.252780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N

• Nateglinide
IUPAC Name: (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid | CAS Registry Number: 105816-04-4
Synonyms: nateglinide, Starlix, Starsis, Fastic, Trazec, Ambap5430, MLS000759500, MLS001424043, SDZ-DJN-608, DJN-608, YM-026, AY-4166, CPD000466372, SAM001246721, SMR000466372, TL8000218, A-4166, N-{[trans-4-(propan-2-yl)cyclohexyl]carbonyl}-D-phenylalanine

Molecular Formula: C19H27NO3Molecular Weight: 317.422580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OELFLUMRDSZNSF-OFLPRAFFSA-N

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

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

InChIKey: GVJHHUAWPYXKBD-IEOSBIPESA-N

• Nebivolol HCL
IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol | CAS Registry Number: 99200-09-6
Synonyms: Nebivolol, Nebivololum [Latin], Nebivolol (USAN/INN), Nebivolol [USAN:BAN:INN], Nebivolol [USAN:INN:BAN], C22H25F2NO4, PDSP1_000244, PDSP2_000243, LS-178404, R65,824, D05127, R 67555, R-67555, alpha,alpha'-(Iminodimethylene)bis(6-fluoro-2-chromanmethanol), 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol], 2H-1-Benzopyran-2-methanol, alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro-, alpha,alpha'-(Iminobis(methylene))bis(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol), alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro)-2H-1-benzopyran-2-methanol, 104365-59-5, 9920-09-6

Molecular Formula: C22H25F2NO4Molecular Weight: 405.435006 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: KOHIRBRYDXPAMZ-UHFFFAOYSA-N

• Nedocromil
IUPAC Name: 9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid | CAS Registry Number: 69049-73-6
Synonyms: NEDOCROMIL, Nedocromilum, Nedocromilo, Tilade, Nedocromilum [Latin], Nedocromilo [Spanish], Nedocromil (USAN/INN), Nedocromil, Disodium Salt, Nedocromil [USAN:BAN:INN], UNII-0B535E0BN0, CHEBI:7492, C19H17NO7, Nedocromil, Calcium Salt (1:1), CID50294, FPL 59002, FPL-59002, DB00716, 69049-74-7 (di-hydrochloride salt), LS-176726, 101626-68-0 (calcium salt (1:1))

Molecular Formula: C19H17NO7Molecular Weight: 371.340780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: RQTOOFIXOKYGAN-UHFFFAOYSA-N

• Nefazodone
IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one | CAS Registry Number: 83366-66-9
Synonyms: nefazodone, Serzone, Nefazodone Hcl, Nefazodonum [Latin], Nefazodona [Spanish], Nefazodone [INN:BAN], C25H32ClN5O2, MLS000759458, MLS001165769, MLS001195657, NEFAZODONE HYDROCHLORIDE, CHEBI:7494, CID4449, DB01149, KS-1088, NCGC00165846-01, NCGC00165846-02, SMR000449297, SMR000550487, LS-156497

Molecular Formula: C25H32ClN5O2Molecular Weight: 470.006880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: VRBKIVRKKCLPHA-UHFFFAOYSA-N

• Nelfinavir
IUPAC Name: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide | CAS Registry Number: 159989-64-7
Synonyms: nelfinavir, Viracept, 1ohr, Nelfinavir mesylate, Nelfinavir [INN:BAN], Nelfinavir [BAN:INN], Viracept (*Mesylate salt*), MLS001195634, MLS001304729, AG1343 (*Mesylate salt*), VRX496, Nelfinavir Monomethane Sulfonate, STOCK6S-45709, C32H45N3O4S, Met-SDF-1.beta. & Nelfinavir, AIDS028590, AIDS106820, AIDS-028590, AIDS-106820, CID64143

Molecular Formula: C32H45N3O4SMolecular Weight: 567.782400 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: QAGYKUNXZHXKMR-HKWSIXNMSA-N


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