1. Primary Information
| English name: | Nafcillin-d5 Sodium Salt |
| CAS No.: | 1356354-25-0 |
| Molecular formula: | C21H21N2NAO5S |
| Molecular weight: | 441.5 g/mol |
| SMILES: | CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 2.5mg | - | 2720 | -20°C | 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-7-oxo-6-[[2-(1,1,2,2,2-pentadeuterioethoxy)naphthalene-1-carbonyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
4.2 InChI
InChI=1S/C21H22N2O5S.Na/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);/q;+1/p-1/t15-,16+,19-;/m1./s1/i1D3,4D2;
4.3 InChIKey
AYAPZOUDXCDGIF-LYVUTDJTSA-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-].[Na+]
4.5 Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=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-].[Na+]
