1. Primary Information
| English name: | Nafcillin sodium monohydrate |
| CAS No.: | 7177-50-6 |
| Molecular formula: | C21H23N2NAO6S |
| Molecular weight: | 454.5 g/mol |
| SMILES: | CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+] |
| Structural class: | |
| Other identifiers: |
Nafcil Nafcillin Nafcillin Sodium Nafcillin, Monosodium Salt, Anhydrous Nafcillin, Sodium |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥90% | 320 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | HPLC≥90% | 800 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | ≥820ug/mg | 153 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | ≥820ug/mg | 627 | -20℃ | in stock | - |
| Kehua Intelligence | 25g | ≥820ug/mg | 1848 | -20℃ | 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-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
4.2 InChI
InChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t15-,16+,19-;;/m1../s1
4.3 InChIKey
OCXSDHJRMYFTMA-KMFBOIRUSA-M
4.4 Canonical SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]
4.5 Isomeric SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+]
