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Chemical structure of 7-Amino-3-chloro cephalosporanic acid

GC75134

7-Amino-3-chloro cephalosporanic acid

Also known as (6R,7R)-7-azaniumyl-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

7-Amino-3-chloro cephalosporanic acid (7-ACCA) is an important intermediate for the synthesis of the second generation cephalosporins Cefaclor

ChemicalCAS53994-69-7MW234.66FormulaC7H7ClN2O3S
CAS number
53994-69-7
Molecular weight
234.66
Formula
C7H7ClN2O3S
Solubility
0·1 M Sodium carbonate： 40 mg/mL (170·46 mM; Need ultrasonic)
InChIKey
OQSAFIZCBAZPMY-AWFVSMACSA-N
Catalogue number
GC75134
Brand
GLPBIO
Computed properties PubChem CID 6998926 · XLogP -2.2 · TPSA 113 Ų · H-bond donors 1
XLogP
-2.2
TPSA
113 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
14

SMILES C1C(=C(N2[C@H](S1)[C@@H](C2=O)[NH3+])C(=O)[O-])Cl

Computed descriptors from PubChem (CID 6998926), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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