Cephradine
[CAS# 58456-86-3]

Identification

• Name: Cephradine
• Synonyms: (6R,7R)-7-[[(2R)-2-Amino-2-(1-Cyclohexa-1,4-Dienyl)-1-Oxoethyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Dihydrate; (6R,7R)-7-[[(2R)-2-Amino-2-(1-Cyclohexa-1,4-Dienyl)Acetyl]Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Dihydrate; (6R,7R)-7-[[(2R)-2-Amino-2-(1-Cyclohexa-1,4-Dienyl)Ethanoyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Dihydrate
• Molecular Formula: C₁₆H₂₃N₃O₆S
• Molecular Weight: 385.43
• CAS Registry Number: 58456-86-3
• SMILES: [C@H](N)(C(=O)N[C@H]2[C@H]1SCC(=C(N1C2=O)C(O)=O)C)C3=CCC=CC3.O.O
• InChI: 1S/C16H19N3O4S.2H2O/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;;/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23);2*1H2/t10-,11-,15-;;/m1../s1
• InChIKey: HBKDHIDYMXXJLI-OEDJVVDHSA-N

Properties

• Boiling point: 693.1°C at 760 mmHg (Cal.)
• Flash point: 373°C (Cal.)