Cefaloglycin dihydrate
[CAS# 22202-75-1]

Identification

• Name: Cefaloglycin dihydrate
• Synonyms: (6R,7R)-3-(Acetoxymethyl)-7-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Dihydrate; (6R,7R)-3-(Acetoxymethyl)-7-[[(2R)-2-Amino-1-Oxo-2-Phenylethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Dihydrate; (6R,7R)-3-(Acetoxymethyl)-7-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Dihydrate
• Molecular Formula: C₁₈H₂₃N₃O₈S
• Molecular Weight: 441.46
• CAS Registry Number: 22202-75-1
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(O)=O)COC(=O)C.O.O
• InChI: 1S/C18H19N3O6S.2H2O/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10;;/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26);2*1H2/t12-,13-,17-;;/m1../s1
• InChIKey: KURFSUDYQUKEJZ-SBMYYUOMSA-N

Properties

• Boiling point: 761.8°C at 760 mmHg (Cal.)
• Flash point: 414.5°C (Cal.)