1. Primary Information
| English name: | Cefoperazone Sodium |
| CAS No.: | 62893-20-3 |
| Molecular formula: | C25H26N9NAO8S2 |
| Molecular weight: | 667.7 g/mol |
| SMILES: | CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
Céfobis Cefobid Cefoperazon Cefoperazone Cefoperazone Sodium |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥98% | 360 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 128 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 344 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 832 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 98% | 2144 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
4.2 InChI
InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1
4.3 InChIKey
NCFTXMQPRQZFMZ-WERGMSTESA-M
4.4 Canonical SMILES
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
4.5 Isomeric SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
