Sodium [6R-[6alpha,7beta(R*)]]-7-(Aminophenylacetamido)-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 38932-40-0]

Identification

• Name: Sodium [6R-[6alpha,7beta(R*)]]-7-(Aminophenylacetamido)-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-7-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[(2R)-2-Amino-1-Oxo-2-Phenylethyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₆H₁₆N₃NaO₄S
• Molecular Weight: 369.37
• CAS Registry Number: 38932-40-0
• EINECS: 254-192-8
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-])C.[Na+]
• InChI: 1S/C16H17N3O4S.Na/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;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);/q;+1/p-1/t10-,11-,15-;/m1./s1
• InChIKey: NZDYPHVJLWMLJI-CYJZLJNKSA-M

Properties

• Boiling point: 727.4°C at 760 mmHg (Cal.)
• Flash point: 393.7°C (Cal.)