1. Primary Information
| English name: | Oxacillin sodium monohydrate |
| CAS No.: | 7240-38-2 |
| Molecular formula: | C19H20N3NAO6S |
| Molecular weight: | 441.4 g/mol |
| SMILES: | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+] |
| Structural class: | |
| Other identifiers: |
Methylphenylisoxazolyl Penicillin Oxacillin Oxacillin Sodium Oxacillin, Monosodium Salt, Anhydrous Oxacillin, Monosodium Salt, Monohydrate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 99% | 640 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 99% | 120 | 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)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
4.2 InChI
InChI=1S/C19H19N3O5S.Na.H2O/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
4.3 InChIKey
ZVIYWUUZWWBNMB-VICXVTCVSA-M
4.4 Canonical SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)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=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+]
