1. Primary Information
| English name: | Ertapenem Sodium |
| CAS No.: | 153773-82-1 |
| Molecular formula: | C22H24N3NAO7S |
| Molecular weight: | 497.5 g/mol |
| SMILES: | CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)[O-])C(=O)O)C(C)O.[Na+] |
| Structural class: | |
| Other identifiers: |
ertapenem ertapenem sodium Invanoz Invanz |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 384 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 1440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;3-[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidine-2-carbonyl]amino]benzoate
4.2 InChI
InChI=1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);/q;+1/p-1/t9-,10-,13+,14+,15-,16-;/m1./s1
4.3 InChIKey
ZXNAQFZBWUNWJM-HRXMHBOMSA-M
4.4 Canonical SMILES
CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)[O-])C(=O)O)C(C)O.[Na+]
4.5 Isomeric SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)[O-])C(=O)O)[C@@H](C)O.[Na+]
