Products 1259393-05-9

CAS 1259393-05-9 appears in our catalog under these names: Evacetrapib monohydrate, Evacetrapib monohydrate - Bio-X â„¢, Evacetrapib monohydrate, BioScience Grade, 10 mg. Offered by: Biosynth, Roth. Available pack sizes: 50mg, 10mg, 25mg, 100mg, 250mg, 500mg.

Structural formula: {0} (CAS {1})

4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylic acid;hydrate (CAS 1259393-05-9) is a chemical compound with the molecular formula C31H38F6N6O3 and a molecular weight of 656.7 g/mol. IUPAC name: 4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylic acid;hydrate. InChIKey: SNDKWXRGPMCSQJ-IZIMYZCQSA-N.

Identity
Molecular formulaC31H38F6N6O3
Molecular weight656.7 g/mol
IUPAC name4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylic acid;hydrate
InChIKeySNDKWXRGPMCSQJ-IZIMYZCQSA-N
SMILESCC1=CC(=C2C(=C1)[C@H](CCCN2CC3CCC(CC3)C(=O)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C)C.O

Computed by PubChem (NCBI)