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Chemical structure of Cefozopran hydrochloride (SCE-2787 hydrochloride)

GC32139

Cefozopran hydrochloride (SCE-2787 hydrochloride)

Also known as (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride

Cefozopran (SCE-2787) hydrochloride is a semi-synthetic, parenteral, fourth-generation cephalosporin

ChemicalCAS113981-44-5MW551.99FormulaC19H18ClN9O5S2
CAS number
113981-44-5
Molecular weight
551.99
Formula
C19H18ClN9O5S2
Solubility
Water ： ≥ 52 mg/mL (94·20 mM)
InChIKey
NTJHUKMPVIFDNY-XFDPNJHTSA-N
Catalogue number
GC32139
Brand
GLPBIO
Computed properties PubChem CID 5491954 · TPSA 235 Ų · H-bond donors 3 · H-bond acceptors 13
TPSA
235 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
36

SMILES CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)O.[Cl-]

Computed descriptors from PubChem (CID 5491954), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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