Sodium (6R,7R)-3-(Acetyloxymethyl)-7-[[(2R)-2-Formyloxy-2-Phenyl-Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 62442-74-4]

Identification

• Name: Sodium (6R,7R)-3-(Acetyloxymethyl)-7-[[(2R)-2-Formyloxy-2-Phenyl-Acetyl]Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-3-(Acetoxymethyl)-7-[[(2R)-2-Formyloxy-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-Formyloxy-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-Formyloxy-2-Phenyl-Acetyl]Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₉H₁₇N₂NaO₈S
• Molecular Weight: 456.40
• CAS Registry Number: 62442-74-4
• EINECS: 263-547-6
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](OC=O)C3=CC=CC=C3)C([O-])=O)COC(=O)C.[Na+]
• InChI: 1S/C19H18N2O8S.Na/c1-10(23)28-7-12-8-30-18-13(17(25)21(18)14(12)19(26)27)20-16(24)15(29-9-22)11-5-3-2-4-6-11;/h2-6,9,13,15,18H,7-8H2,1H3,(H,20,24)(H,26,27);/q;+1/p-1/t13-,15-,18-;/m1./s1
• InChIKey: ZSNQDTMLBUOTDM-ZRCLMYKLSA-M

Properties

• Boiling point: 766.6°C at 760 mmHg (Cal.)
• Flash point: 417.4°C (Cal.)