cefazolin

(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 25953-19-9

Molecular Formula	`C14H14N8O4S3`
Molecular Weight	454.5 g/mol
LogP	-0.4
Topological Polar Surface Area	235.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	7
Exact Mass	454.03003
Heavy Atoms	29
Complexity	740.0

Chemical Identifiers

CAS Number	25953-19-9
SMILES	`CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O`
InChIKey	`MLYYVTUWGNIJIB-BXKDBHETSA-N`

📖 Product Overview

cefazolin (CAS: 25953-19-9) is a chemical compound with molecular formula C14H14N8O4S3 and molecular weight 454.5 g/mol. Its IUPAC systematic name is (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -0.4 Topological Polar Surface Area 235.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 12 Rotatable Bonds 7 Exact Mass 454.03003 Heavy Atoms 29 Complexity 740.0 InChI Key: MLYYVTUWGNIJIB-BXKDBHETSA-N. SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O.

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