1. Primary Information
| English name: | Sulbenicillin sodium |
| CAS No.: | 28002-18-8 |
| Molecular formula: | C16H16N2NA2O7S2 |
| Molecular weight: | 458.4 g/mol |
| SMILES: | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
alpha-Sulfobenzylpenicillin, Disodium Disodium alpha Sulfobenzylpenicillin Disodium alpha-Sulfobenzylpenicillin I.M., Kedacillin Kedacillin I.M. |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | 98% | 192 | RT | in stock | - |
| Kehua Intelligence | 25g | 98% | 576 | RT | in stock | - |
| Kehua Intelligence | 5g | 90% | 144 | RT | in stock | - |
| Kehua Intelligence | 25g | 90% | 480 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
disodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfonatoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
4.2 InChI
InChI=1S/C16H18N2O7S2.2Na/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2/t9-,10?,11+,14-;;/m1../s1
4.3 InChIKey
FWRNIJIOFYDBES-HCIBPFAFSA-L
4.4 Canonical SMILES
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
4.5 Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
