1. Primary Information
| English name: | Piperacillin Sodium |
| CAS No.: | 59703-84-3 |
| Molecular formula: | C23H26N5NAO7S |
| Molecular weight: | 539.5 g/mol |
| SMILES: | CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
AB Piperacillin AB-Piperacillin Cl 227193 Cl-227193 Cl227193 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | 生物技术级，770ug/mg | 48 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 生物技术级，770ug/mg | 92 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 生物技术级，770ug/mg | 304 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 生物技术级，770ug/mg | 480 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 生物技术级，770ug/mg | 960 | 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-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
4.2 InChI
InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1
4.3 InChIKey
WCMIIGXFCMNQDS-IDYPWDAWSA-M
4.4 Canonical SMILES
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]
4.5 Isomeric SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+]
