Sodium [6R-[6alpha,7beta(R*)]]-3-(Acetoxymethyl)-7-(Hydroxyphenylacetamido)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 51372-87-3]

Identification

• Name: Sodium [6R-[6alpha,7beta(R*)]]-3-(Acetoxymethyl)-7-(Hydroxyphenylacetamido)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[(2R)-2-Hydroxy-2-Phenyl-Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[(2R)-2-Hydroxy-1-Oxo-2-Phenylethyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[(2R)-2-Hydroxy-2-Phenyl-Acetyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₈H₁₇N₂NaO₇S
• Molecular Weight: 428.39
• CAS Registry Number: 51372-87-3
• EINECS: 257-162-2
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C3=CC=CC=C3)C([O-])=O)COC(=O)C.[Na+]
• InChI: 1S/C18H18N2O7S.Na/c1-9(21)27-7-11-8-28-17-12(16(24)20(17)13(11)18(25)26)19-15(23)14(22)10-5-3-2-4-6-10;/h2-6,12,14,17,22H,7-8H2,1H3,(H,19,23)(H,25,26);/q;+1/p-1/t12-,14-,17-;/m1./s1
• InChIKey: KNEWFQZPZHWKLS-YCLOEFEOSA-M

Properties

• Boiling point: 781.6°C at 760 mmHg (Cal.)
• Flash point: 426.5°C (Cal.)