Product Information
Chemical Data
Analyte Name
Desacetyl Cephapirin Sodium Salt
CAS Number
104557-24-6
Molecular Formula
C15 H14 N3 O5 S2 . Na
Molecular Weight
403.41
Accurate Mass
403.0273
Flash Point
-20
SMILES
[Na+].OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)[O-]
InChI
InChI=1S/C15H15N3O5S2.Na/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9;/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23);/q;+1/p-1/t11-,14-;/m1./s1
IUPAC
sodium;(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Alternate CAS Number
Free acid: 38115-21-8
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Tariff Code
29349990
Product Type
Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
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