Cloxacillin sulfone

(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 76788-83-5

Molecular Formula	`C19H18ClN3O7S`
Molecular Weight	467.9 g/mol
LogP	1.2
Topological Polar Surface Area	155.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	467.0554
Heavy Atoms	31
Complexity	905.0

Chemical Identifiers

CAS Number	76788-83-5
SMILES	`CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4(=O)=O)(C)C)C(=O)O`
InChIKey	`NVNVYZJTNPZRPA-JKIFEVAISA-N`

📖 Product Overview

Cloxacillin sulfone (CAS: 76788-83-5) is a chemical compound with molecular formula C19H18ClN3O7S and molecular weight 467.9 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP 1.2 Topological Polar Surface Area 155.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 467.0554 Heavy Atoms 31 Complexity 905.0 InChI Key: NVNVYZJTNPZRPA-JKIFEVAISA-N. SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4(=O)=O)(C)C)C(=O)O.

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