(2E)-[2-(Tritylamino)-1,3-thiazol-4-yl][(trityloxy)imino]acetic acid
[CAS# 68786-47-0]

Identification

• Classification: API >> Antibiotics >> Cephalosporin
• Name: (2E)-[2-(Tritylamino)-1,3-thiazol-4-yl][(trityloxy)imino]acetic acid
• Synonyms: (Z)-2-(2-Tritylaminothiazol-4-yl)-2-trityloxyiminoacetic acid
• Molecular Formula: C₄₃H₃₃N₃O₃S
• Molecular Weight: 671.81
• CAS Registry Number: 68786-47-0
• SMILES: OC(=O)C(=N\OC(c1ccccc1)(c2ccccc2)c3ccccc3)\c7csc(NC(c4ccccc4)(c5ccccc5)c6ccccc6)n7
• InChI: 1S/C43H33N3O3S/c47-40(48)39(46-49-43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37)38-31-50-41(44-38)45-42(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34/h1-31H,(H,44,45)(H,47,48)/b46-39+
• InChIKey: NSWHTWVHOBWFDQ-MRRCHDRASA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 832.796°C at 760 mmHg (Cal.)
• Flash point: 457.459°C (Cal.)