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Chemical structure of Cefathiamidine

GC38750

Cefathiamidine

Also known as 3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Cefathiamidine is a first-generation cephalosporin antibacterial agent and is used to treat infections caused by susceptible bacteria

ChemicalCAS33075-00-2MW472.58FormulaC19H28N4O6S2
CAS number
33075-00-2
Molecular weight
472.58
Formula
C19H28N4O6S2
Solubility
DMSO： 250 mg/mL (529·01 mM)
InChIKey
JYXACOFERDBGGQ-UHFFFAOYSA-N
Catalogue number
GC38750
Brand
GLPBIO
Computed properties PubChem CID 169489 · XLogP 0.5 · TPSA 188 Ų · H-bond donors 3
XLogP
0.5
TPSA
188 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
31

SMILES CC(C)NC(=NC(C)C)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O

Computed descriptors from PubChem (CID 169489), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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