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Chemical structure of Cefetrizole

GC31580

Cefetrizole

Also known as (6R,7R)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Ceftezole is an α-Glucosidase inhibitor with an IC50 and a Ki of 2·1 μM and 0·578 μM, respectively

ChemicalCAS65307-12-2MW437.52FormulaC16H15N5O4S3
CAS number
65307-12-2
Molecular weight
437.52
Formula
C16H15N5O4S3
Solubility
Soluble in DMSO
InChIKey
UQWYUAURRDNBKR-BXUZGUMPSA-N
Catalogue number
GC31580
Brand
GLPBIO
Computed properties PubChem CID 193956 · XLogP 1 · TPSA 207 Ų · H-bond donors 3
XLogP
1
TPSA
207 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
28

SMILES C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CSC4=NC=NN4

Computed descriptors from PubChem (CID 193956), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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