Sodium (6R-trans)-7-Amino-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 56871-82-0]

Identification

• Name: Sodium (6R-trans)-7-Amino-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-7-Amino-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; 5-Thia-1-Azabicyclo(4.2.0)Oct-2-Ene-2-Carboxylic Acid, 7-Amino-3-Methyl-8-Oxo-, Monosodium Salt, (6R-Trans)-
• Molecular Formula: C₈H₉N₂NaO₃S
• Molecular Weight: 236.22
• CAS Registry Number: 56871-82-0
• EINECS: 260-411-8
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2N)C([O-])=O)C.[Na+]
• InChI: 1S/C8H10N2O3S.Na/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13;/h4,7H,2,9H2,1H3,(H,12,13);/q;+1/p-1/t4-,7-;/m1./s1
• InChIKey: BCKQLZUUSACLHI-LPNHBSBCSA-M

Properties

• Boiling point: 517.6°C at 760 mmHg (Cal.)
• Flash point: 266.8°C (Cal.)