Cefotiam dihydrochloride

(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;dihydrochloride

CAS: 66309-69-1

Molecular Formula	`C18H25Cl2N9O4S3`
Molecular Weight	598.6 g/mol
Topological Polar Surface Area	251.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	10
Exact Mass	597.0569
Heavy Atoms	36
Complexity	847.0

Chemical Identifiers

CAS Number	66309-69-1
SMILES	`CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.Cl.Cl`
InChIKey	`BWRRTAXZCKVRON-DGPOFWGLSA-N`

📖 Product Overview

Cefotiam dihydrochloride (CAS: 66309-69-1) is a chemical compound with molecular formula C18H25Cl2N9O4S3 and molecular weight 598.6 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;dihydrochloride. Topological Polar Surface Area 251.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 13 Rotatable Bonds 10 Exact Mass 597.0569 Heavy Atoms 36 Complexity 847.0 InChI Key: BWRRTAXZCKVRON-DGPOFWGLSA-N. SMILES: CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.Cl.Cl.

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