Drug Standards
Drug Standards
2-Ethylhexyl salicylate, Thermo Scientific™
CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: 00053300 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
Oxibendazole, Thermo Scientific™
CAS: 20559-55-1 Molecular Formula: C12H15N3O3 Molecular Weight (g/mol): 249.27 MDL Number: 00133728 InChI Key: RAOCRURYZCVHMG-UHFFFAOYSA-N IUPAC Name: methyl N-(6-propoxy-1H-1,3-benzodiazol-2-yl)carbamate SMILES: CCCOC1=CC=C2N=C(NC(=O)OC)NC2=C1
Gestodene, Thermo Scientific™
CAS: 60282-87-3 Molecular Formula: C21H26O2 Molecular Weight (g/mol): 310.44 MDL Number: 00867858 InChI Key: SIGSPDASOTUPFS-KQMXEUTGSA-N Synonym: 13beta-Ethyl-17beta-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one IUPAC Name: (1R)-11a-ethyl-1-ethynyl-1-hydroxy-1H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=C[C@@]2(O)C#C
Ketorolac tromethamine, Thermo Scientific™
CAS: 74103-07-4 Molecular Formula: C19H24N2O6 Molecular Weight (g/mol): 376.41 MDL Number: 00887595 InChI Key: BWHLPLXXIDYSNW-UHFFFAOYNA-N IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid SMILES: NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1
Cabazitaxel, Thermo Scientific™
CAS: 183133-96-2 Molecular Formula: C45H57NO14 Molecular Weight (g/mol): 835.94 MDL Number: MFCD18827611 InChI Key: BMQGVNUXMIRLCK-UHFFFAOYNA-N IUPAC Name: 4-(acetyloxy)-15-[(3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl)oxy]-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate SMILES: COC1CC2OCC2(OC(C)=O)C2C(OC(=O)C3=CC=CC=C3)C3(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C(C(OC)C(=O)C12C)C3(C)C
Etravirine, Thermo Scientific™
CAS: 269055-15-4 Molecular Formula: C20H15BrN6O Molecular Weight (g/mol): 435.29 MDL Number: MFCD09837879 InChI Key: PYGWGZALEOIKDF-UHFFFAOYSA-N Synonym: 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile IUPAC Name: 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(C)=C1OC1=NC(NC2=CC=C(C=C2)C#N)=NC(N)=C1Br)C#N
Bevantolol hydrochloride, Thermo Scientific™
CAS: 42864-78-8 Molecular Formula: C20H28ClNO4 Molecular Weight (g/mol): 381.90 MDL Number: 00941389 InChI Key: FJTKCFSPYUMXJB-UHFFFAOYNA-N IUPAC Name: hydrogen 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol chloride SMILES: [H+].[Cl-].COC1=CC=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1OC
Febantel, Thermo Scientific™
CAS: 58306-30-2 Molecular Formula: C20H22N4O6S Molecular Weight (g/mol): 446.48 MDL Number: 01738527 InChI Key: HMCCXLBXIJMERM-UHFFFAOYSA-N IUPAC Name: methyl N-{[(methoxycarbonyl)imino]({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino})methyl}carbamate SMILES: COCC(=O)NC1=CC(SC2=CC=CC=C2)=CC=C1NC(NC(=O)OC)=NC(=O)OC
Pimobendan, Thermo Scientific™
CAS: 74150-27-9 Molecular Formula: C19H18N4O2 Molecular Weight (g/mol): 334.38 MDL Number: 00761648 InChI Key: GLBJJMFZWDBELO-UHFFFAOYNA-N IUPAC Name: 6-[2-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one SMILES: COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N1)C1=NNC(=O)CC1C
Cabozantinib (S)-malate, Thermo Scientific™
CAS: 1140909-48-3 Molecular Formula: C32H30FN3O10 Molecular Weight (g/mol): 635.60 MDL Number: MFCD20923480 InChI Key: HFCFMRYTXDINDK-UHFFFAOYNA-N IUPAC Name: 2-hydroxybutanedioic acid; N'1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SMILES: OC(CC(O)=O)C(O)=O.COC1=C(OC)C=C2C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)=CC=NC2=C1
