8XI
Summary
| Name: | Cefaclor |
| Synonyms: | (6R,7R)-7-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Formula: | C15 H14 Cl N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 367.807 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{R},7~{R})-7-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1 |
| InChIKey | InChI | 1.06 | QYIYFLOTGYLRGG-GPCCPHFNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)Cl)c3ccccc3 |
| SMILES | CACTVS | 3.385 | N[CH](C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)Cl)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(C(=O)NC2C3N(C2=O)C(=C(CS3)Cl)C(=O)O)N |
