OCHRATOXIN C

ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate

CAS: 4865-85-4

Molecular Formula	`C22H22ClNO6`
Molecular Weight	431.9 g/mol
LogP	5.4
Topological Polar Surface Area	102.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	431.11356
Heavy Atoms	30
Complexity	637.0

Chemical Identifiers

CAS Number	4865-85-4
SMILES	`CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl`
InChIKey	`BPZZWRPHVVDAPT-PXAZEXFGSA-N`

📖 Product Overview

OCHRATOXIN C (CAS: 4865-85-4) is a chemical compound with molecular formula C22H22ClNO6 and molecular weight 431.9 g/mol. Its IUPAC systematic name is ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate. LogP 5.4 Topological Polar Surface Area 102.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 431.11356 Heavy Atoms 30 Complexity 637.0 InChI Key: BPZZWRPHVVDAPT-PXAZEXFGSA-N. SMILES: CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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