1. Primary Information
| English name: | CID 13239645 |
| CAS No.: | 131857-33-5 |
| Molecular formula: | C19H26N6O9S3 |
| Molecular weight: | 586.7 g/mol |
| SMILES: | C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].OS(=O)(=O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | - | 9440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2,2,3,3,4,4,5,5-octadeuterio-1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;sulfuric acid
4.2 InChI
InChI=1S/C19H24N6O5S2.H2O4S/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;1-5(2,3)4/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);(H2,1,2,3,4)/b23-12-;/t13-,17-;/m1./s1/i3D2,4D2,5D2,6D2;
4.3 InChIKey
JCRAHWHSZYCYEI-XWGFBCJBSA-N
4.4 Canonical SMILES
C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].OS(=O)(=O)O
4.5 Isomeric SMILES
[2H]C1(C(C([N+](C1([2H])[2H])(C)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-])([2H])[2H])([2H])[2H])[2H].OS(=O)(=O)O
