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Chemical structure of Cefadroxil-d4 hydrate

GC71685

Cefadroxil-d4 hydrate

Also known as (6R,7R)-7-[[(2R)-2-amino-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate

Cefadroxil-d4 (hydrate) is the deuterium labeled Cefadroxil

ChemicalCAS1426174-38-0MW385.43FormulaC16H15D4N3O6S
CAS number
1426174-38-0
Molecular weight
385.43
Formula
C16H15D4N3O6S
InChIKey
NBFNMSULHIODTC-AUTKPGNWSA-N
Catalogue number
GC71685
Brand
GLPBIO
Computed properties PubChem CID 45038585 · TPSA 159 Ų · H-bond donors 5 · H-bond acceptors 8
TPSA
159 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26

SMILES [2H]C1=C(C(=C(C(=C1[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C)C(=O)O)N)[2H])[2H])O)[2H].O

Computed descriptors from PubChem (CID 45038585), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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