cefotetan

(6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 69712-56-7

Molecular Formula	`C17H17N7O8S4`
Molecular Weight	575.6 g/mol
LogP	0.1
Topological Polar Surface Area	321.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	15
Rotatable Bonds	9
Exact Mass	575.00214
Heavy Atoms	36
Complexity	1090.0

Chemical Identifiers

CAS Number	69712-56-7
SMILES	`CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O`
InChIKey	`SRZNHPXWXCNNDU-RHBCBLIFSA-N`

📖 Product Overview

cefotetan (CAS: 69712-56-7) is a chemical compound with molecular formula C17H17N7O8S4 and molecular weight 575.6 g/mol. Its IUPAC systematic name is (6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP 0.1 Topological Polar Surface Area 321.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 15 Rotatable Bonds 9 Exact Mass 575.00214 Heavy Atoms 36 Complexity 1090.0 InChI Key: SRZNHPXWXCNNDU-RHBCBLIFSA-N. SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O.

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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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