7-Aminocephalosporanic Acid (CAS 957-68-6) — formula C10H12N2O5S, molecular weight 272.28; category pharmaceutical intermediates and APIs.
| CAS Number | 957-68-6 |
|---|---|
| Molecular Formula | C10H12N2O5S |
| Molecular Weight | 272.28 |
| LogP | -4 |
| Applications | Uses: Chemical class is Beta.-Lactams, [NIH ChemDB] |
| Category | Pharmaceutical Intermediates |
Documented applications: Uses: Chemical class is Beta.-Lactams, [NIH ChemDB].
7-Aminocephalosporanic Acid is a pharmaceutical intermediate or API compound with CAS registry number 957-68-6 and molecular formula C10H12N2O5S (molecular weight 272.28), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 957-68-6
Its molecular formula C10H12N2O5S comprises 10 C, 12 H, 2 N, 5 O, 1 S atoms.
Also known as: 7-Aminocephalosporanic Acid · 7-氨基头孢烷酸
Category: pharmaceutical intermediates and APIs
The CAS registry number of 7-Aminocephalosporanic Acid is 957-68-6.
Molecular formula C10H12N2O5S, molecular weight 272.28.
It is also registered under: 7-Aminocephalosporanic Acid, 7-氨基头孢烷酸.
Recorded applications: Uses: Chemical class is Beta.-Lactams, [NIH ChemDB].
Category: Pharmaceutical Intermediates.
Independent reference data for 7-Aminocephalosporanic Acid (CAS 957-68-6), compiled from public chemistry databases.
| CAS Registry Number | 957-68-6 |
|---|---|
| PubChem CID | 441328 |
| Molecular formula | C10H12N2O5S |
| IUPAC name | (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| UNII (FDA) | 9XI67897RG |
| Molecular Weight | 272.28 |
|---|---|
| XLogP3 | -4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 272.04669266 |
| Monoisotopic Mass | 272.04669266 |
| Topological Polar Surface Area | 135 |
| Heavy Atom Count | 18 |
7-Aminocephalosporanic acid; 957-68-6; 7-ACA; 7beta-Aminocephalosporanic acid; 7-Aminocephalosporinic acid; DTXSID9045342; CHEBI:2255; (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 9XI67897RG; DTXCID7025342; 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-AMINO-8-OXO-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6R,7R)-; 7-ACA cpd; (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| GHS notification summary | 1.4% (1 / 73) |
|---|
| GHS notification summary | 1.4% (1 / 73) |
|---|---|
| Reported hazard statements | H317 (97.3%), H319 (15.1%), H334 (97.3%), H335 (13.7%) |
This chemical does not meet GHS hazard criteria for 1.4% (1 of 73) of reports.
H317 (97.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
7-Aminocephalosporanic Acid · CAS 957-68-6 · C10H12N2O5S. UNII 9XI67897RG.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 7-氨基头孢烷酸