1. Primary Information
| English name: | Tegopen |
| CAS No.: | 7081-44-9 |
| Molecular formula: | C19H19ClN3NAO6S |
| Molecular weight: | 475.9 g/mol |
| SMILES: | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+] |
| Structural class: | |
| Other identifiers: |
Chloroxacillin Cloxacillin Cloxacillin Sodium Cloxacillin, Sodium Sodium Cloxacillin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | HPLC≥98% | 384 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | BR，98% | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | BR，98% | 176 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | BR，98% | 520 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | BR，98% | 2000 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
4.2 InChI
InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
4.3 InChIKey
KCUWTKOTPIUBRI-VICXVTCVSA-M
4.4 Canonical SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]
4.5 Isomeric SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+]
