Products 666236-28-8

CAS 666236-28-8 appears in our catalog under these names: Ochratoxin A-d5, >95% (HPLC), OCHRATOXIN A-(PHENYL-D5) SOLUTION, 10G/, D5-Ochratoxin A, Concentration: 100 µg/ml Solvent: Acetonitrile, D5-Ochratoxin A, Concentration: 10.0 µg/ml Solvent: Acetonitrile. Offered by: TRC, Sigma-Aldrich, HPC Standards. Available pack sizes: 0,5mg, 5mg, 2ML, 1x1ml.

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

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid (CAS 666236-28-8) is a chemical compound with the molecular formula C20H18ClNO6 and a molecular weight of 408.8 g/mol. IUPAC name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid. InChIKey: RWQKHEORZBHNRI-CZHKJLSSSA-N.

Identity
Molecular formulaC20H18ClNO6
Molecular weight408.8 g/mol
IUPAC name(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
InChIKeyRWQKHEORZBHNRI-CZHKJLSSSA-N
SMILES[2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)O)NC(=O)C2=CC(=C3C[C@H](OC(=O)C3=C2O)C)Cl)[2H])[2H]

Computed by PubChem (NCBI)