KEF
Summary
| Name: | CEFUROXIME (OCT-3-ENE FORM) |
| Synonyms: | (6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-3-ENE-2-CARB
OXYLIC ACID (6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO] CEPH-3-EM-4-CARBOXYLIC ACID |
| Formula: | C16 H16 N4 O8 S |
| Formal charge: | 0 |
| Formula weight: | 424.385 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (6R,7R)-3-(aminocarbonyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N1C(C(=CSC1C2NC(=O)C(=N\OC)/c3occc3)COC(=O)N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CO\N=C(C(=O)N[C@H]1[C@H]2SC=C(COC(N)=O)[C@@H](N2C1=O)C(O)=O)\c3occc3 |
| SMILES | CACTVS | 3.341 | CON=C(C(=O)N[CH]1[CH]2SC=C(COC(N)=O)[CH](N2C1=O)C(O)=O)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CON=C(c1ccco1)C(=O)NC2C3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,6,10-11,14H,5H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,11-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | AIEMBSSBMKFDGU-HPUGUEDKSA-N |
