cefotiam

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

CAS: 61622-34-2

Molecular Formula	`C18H23N9O4S3`
Molecular Weight	525.6 g/mol
LogP	-2.4
Topological Polar Surface Area	251.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	10
Exact Mass	525.1035
Heavy Atoms	34
Complexity	847.0

Chemical Identifiers

CAS Number	61622-34-2
SMILES	`CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O`
InChIKey	`QYQDKDWGWDOFFU-IUODEOHRSA-N`

📖 Product Overview

cefotiam (CAS: 61622-34-2) is a chemical compound with molecular formula C18H23N9O4S3 and molecular weight 525.6 g/mol. Its IUPAC systematic name is (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -2.4 Topological Polar Surface Area 251.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 13 Rotatable Bonds 10 Exact Mass 525.1035 Heavy Atoms 34 Complexity 847.0 InChI Key: QYQDKDWGWDOFFU-IUODEOHRSA-N. SMILES: CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.

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