cefmetazole

(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]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: 56796-20-4

Molecular Formula	`C15H17N7O5S3`
Molecular Weight	471.5 g/mol
LogP	-0.6
Topological Polar Surface Area	239.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	471.04532
Heavy Atoms	30
Complexity	818.0

Chemical Identifiers

CAS Number	56796-20-4
SMILES	`CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O`
InChIKey	`SNBUBQHDYVFSQF-HIFRSBDPSA-N`

📖 Product Overview

cefmetazole (CAS: 56796-20-4) is a chemical compound with molecular formula C15H17N7O5S3 and molecular weight 471.5 g/mol. Its IUPAC systematic name is (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]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 -0.6 Topological Polar Surface Area 239.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 12 Rotatable Bonds 9 Exact Mass 471.04532 Heavy Atoms 30 Complexity 818.0 InChI Key: SNBUBQHDYVFSQF-HIFRSBDPSA-N. SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O.

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