Cloxacillin benzathine

bis((2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine

CAS: 23736-58-5

Molecular Formula	`C54H56Cl2N8O10S2`
Molecular Weight	1112.1 g/mol
Topological Polar Surface Area	300.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	15
Exact Mass	1110.2938
Heavy Atoms	76
Complexity	893.0

Chemical Identifiers

CAS Number	23736-58-5
SMILES	`CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2`
InChIKey	`COCFKSXGORCFOW-VZHMHXRYSA-N`

📖 Product Overview

Cloxacillin benzathine (CAS: 23736-58-5) is a chemical compound with molecular formula C54H56Cl2N8O10S2 and molecular weight 1112.1 g/mol. Its IUPAC systematic name is bis((2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine. Topological Polar Surface Area 300.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 16 Rotatable Bonds 15 Exact Mass 1110.2938 Heavy Atoms 76 Complexity 893.0 InChI Key: COCFKSXGORCFOW-VZHMHXRYSA-N. SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.

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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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