[6R-(6alpha,7beta)]-7-(Aminophenylacetamido)-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 64753-81-7]

Identification

• Name: [6R-(6alpha,7beta)]-7-(Aminophenylacetamido)-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-3-Chloro-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₅H₁₄ClN₃O₄S
• Molecular Weight: 367.81
• CAS Registry Number: 64753-81-7
• EINECS: 265-216-1
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)Cl
• InChI: 1S/C15H14ClN3O4S/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)/t9?,10-,14-/m1/s1
• InChIKey: QYIYFLOTGYLRGG-WUMONGPASA-N

Properties

• Density: 1.624g/cm³ (Cal.)
• Boiling point: 713.395°C at 760 mmHg (Cal.)
• Flash point: 385.248°C (Cal.)