Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C8H10N2O3S |
| Molecular Weight | 214.242 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12SCC(C)=C(N1C(=O)[C@H]2N)C(O)=O
InChI
InChIKey=NVIAYEIXYQCDAN-CLZZGJSISA-N
InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1
DescriptionCurator's Comment: The description was created based on several sources, including
https://link.springer.com/chapter/10.1007/978-1-4615-9290-7_68 | https://www.ncbi.nlm.nih.gov/pubmed/10932155 | https://www.ncbi.nlm.nih.gov/pubmed/7764037
Curator's Comment: The description was created based on several sources, including
https://link.springer.com/chapter/10.1007/978-1-4615-9290-7_68 | https://www.ncbi.nlm.nih.gov/pubmed/10932155 | https://www.ncbi.nlm.nih.gov/pubmed/7764037
7-Aminodesacetoxycephalosporanic acid is a key intermediate for the synthesis of cephalosporins antibiotics and their intermediates. The current process for producing 7-ADCA involves a multistep chemical ring expansion of penicillin G to phenylacetyl-7-ADCA, from which the aromatic side chain is removed using a penicillin acylase.
Originator
Approval Year
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SUBSTANCE RECORD
