1. Primary Information
| English name: | Cephalexin monohydrate |
| CAS No.: | 23325-78-2 |
| Molecular formula: | C16H19N3O5S |
| Molecular weight: | 365.4 g/mol |
| SMILES: | CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O |
| Structural class: | |
| Other identifiers: |
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(R*)))- Cefalexin Cephalexin Cephalexin Dihydride Cephalexin Hemihydrate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | 98% | 600 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 78 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 160 | 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-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
4.2 InChI
InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
4.3 InChIKey
AVGYWQBCYZHHPN-CYJZLJNKSA-N
4.4 Canonical SMILES
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O
4.5 Isomeric SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O.O
