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CHEBI:201484 - Cephapirin benzathine
| Formula | C16H20N2.2C17H17N3O6S2 |
| Net Charge | 0 |
| Average Mass | 1087.294 |
| Monoisotopic Mass | 1086.27440 |
| SMILES | CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CSc3ccncc3)C2SC1.CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CSc3ccncc3)C2SC1.c1ccc(CNCCNCc2ccccc2)cc1 |
| InChI | InChI=1S/2C17H17N3O6S2.C16H20N2/c2*1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);1-10,17-18H,11-14H2 |
| InChIKey | JAHKOXGROZNHHG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cephapirin benzathine (CHEBI:201484) is a N-acyl-amino acid (CHEBI:51569) |
| IUPAC Name |
|---|
| (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine |