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Chemical structure of Desacetylcephapirin sodium

GC45420

Desacetylcephapirin sodium

Also listed as Desacetyl Cefapirin (sodium salt)

Desacetyl Cefapirin (sodium salt) (Deacetylcephapirin sodium) is an active metabolite of Cephapirin

ChemicalCAS104557-24-6MW403.4FormulaC15H14N3O5S2·Na
CAS number
104557-24-6
Molecular weight
403.4
Formula
C15H14N3O5S2·Na
Solubility
DMSO： soluble,Methanol： slightly soluble,Water： slightly soluble
InChIKey
XYXWZYPKYXORJY-GBWFEORMSA-M
Catalogue number
GC45420
Brand
GLPBIO
Computed properties PubChem CID 71315606 · TPSA 173 Ų · H-bond donors 2 · H-bond acceptors 8
TPSA
173 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
26

SMILES C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)[O-])CO.[Na+]

Computed descriptors from PubChem (CID 71315606), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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