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Chemical structure of Cefazolin-13C2,15N

GC43222

Cefazolin-13C2,15N

Also known as (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-((115N)tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Cefazolin-13C2,15N is intended for use as an internal standard for the quantification of cefazolin by GC- or LC-MS

ChemicalCAS2101505-58-0MW457.5FormulaC12[13C]2H14N7[15N]O4S3
CAS number
2101505-58-0
Molecular weight
457.5
Formula
C12[13C]2H14N7[15N]O4S3
Solubility
DMF: Soluble
InChIKey
MLYYVTUWGNIJIB-ZDZFQHAJSA-N
Catalogue number
GC43222
Brand
GLPBIO
Computed properties PubChem CID 71314595 · XLogP -0.4 · TPSA 235 Ų · H-bond donors 2
XLogP
-0.4
TPSA
235 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
29

SMILES CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)N[13C](=O)[13CH2][15N]4C=NN=N4)SC2)C(=O)O

Computed descriptors from PubChem (CID 71314595), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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