Carfecillin

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 27025-49-6

Molecular Formula	`C23H22N2O6S`
Molecular Weight	454.5 g/mol
LogP	3.0
Topological Polar Surface Area	138.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	454.11984
Heavy Atoms	32
Complexity	774.0

Chemical Identifiers

CAS Number	27025-49-6
SMILES	`CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(=O)O)C`
InChIKey	`NZDASSHFKWDBBU-KVMCETHSSA-N`

📖 Product Overview

Carfecillin (CAS: 27025-49-6) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.5 g/mol. Its IUPAC systematic name is (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP 3.0 Topological Polar Surface Area 138.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 454.11984 Heavy Atoms 32 Complexity 774.0 InChI Key: NZDASSHFKWDBBU-KVMCETHSSA-N. SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(=O)O)C.

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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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