Sodium 6-Hexanamidopenicillanate
[CAS# 575-47-3]

Identification

• Name: Sodium 6-Hexanamidopenicillanate
• Synonyms: Sodium 3,3-Dimethyl-7-Oxo-6-(1-Oxohexylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium 6-(Caproylamino)-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; 4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid, 3,3-Dimethyl-7-Oxo-6-((1-Oxohexyl)Amino)-, Monosodium Salt, (2S-(2Alpha,5Alpha,6Beta))-
• Molecular Formula: C₁₄H₂₁N₂NaO₄S
• Molecular Weight: 336.38
• CAS Registry Number: 575-47-3
• EINECS: 209-387-2
• SMILES: C(C(=O)NC2C1SC(C(N1C2=O)C([O-])=O)(C)C)CCCC.[Na+]
• InChI: 1S/C14H22N2O4S.Na/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16;/h9-10,12H,4-7H2,1-3H3,(H,15,17)(H,19,20);/q;+1/p-1
• InChIKey: PGGDFLXSXDLMKV-UHFFFAOYSA-M

Properties

• Boiling point: 593.1°C at 760 mmHg (Cal.)
• Flash point: 312.5°C (Cal.)