CT
ChemicalHelper Reaction
Retrosynthesis · AI + evidence

7-aminodesacetoxycephalosporanic acid (C8H10N2O3S)

7-aminodesacetoxycephalosporanic acid (C8H10N2O3S; CAS 22252-43-3) is a practical retrosynthesis target. 7-aminodesacetoxycephalosporanic acid presents a C8 framework, a carboxylic acid, basic nitrogen. Open AI route search in one click below.

Target
7-aminodesacetoxycephalosporanic acid
CAS
22252-43-3
Formula
C8H10N2O3S
Approx. MW
214.24
SMILES
CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1
PubChem CID
33498
Approx. carbons
C8

7-aminodesacetoxycephalosporanic acid structure

Properties

IUPAC name
(6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Common names
22252-43-3; 7-aminodesacetoxycephalosporanic acid; 7-aminodeacetoxycephalosporanic acid; 7-ADCA; 7-amino-3-methyl-3-cephem-4-carboxylic acid; ANM3MSM8TN; DTXSID4057687; 3-methyl-7-aminoceph-3-em-4-carboxylic acid; 7beta-amino-3-methylceph-3-em-4-carboxylic acid; DTXCID5031476
Molecular weight
214.24
Exact mass
214.04
InChIKey
NVIAYEIXYQCDAN-CLZZGJSISA-N

View on PubChem

7-aminodesacetoxycephalosporanic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 7-aminodesacetoxycephalosporanic acid?

7-aminodesacetoxycephalosporanic acid has molecular formula C8H10N2O3S. Molecular weight about 214.24 g·mol⁻¹.

What is the CAS number of 7-aminodesacetoxycephalosporanic acid?

The CAS Registry Number for 7-aminodesacetoxycephalosporanic acid is 22252-43-3.

Run AI retrosynthesis for 7-aminodesacetoxycephalosporanic acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H10N2O3S.

Related targets

Similar compounds

2-Aminooctanoic acid(R)-Indoline-2-carboxylic Acid(S)-2-Amino-6-guanidinohexanoic acid1-Aminocyclohexanecarboxylic acid2-Amino-3-methylpentanoic acid2-Amino-D-gluconic acid

Browse the full target catalog

References & tools