1. Primary Information
| English name: | Cefaclor hydrate |
| CAS No.: | 70356-03-5 |
| Molecular formula: | C15H16ClN3O5S |
| Molecular weight: | 385.8 g/mol |
| SMILES: | C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.O |
| Structural class: | |
| Other identifiers: |
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-chloro-8-oxo-, (6R-(6alpha,7beta(R*)))- Ceclor Cefaclor Cefaclor Anhydrous Cefaclor Monohydrate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 216 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥98% | 262 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98% | 606 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ≥98% | 1440 | 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-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
4.2 InChI
InChI=1S/C15H14ClN3O4S.H2O/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7;/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23);1H2/t9-,10-,14-;/m1./s1
4.3 InChIKey
WKJGTOYAEQDNIA-IOOZKYRYSA-N
4.4 Canonical SMILES
C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.O
4.5 Isomeric SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl.O
