Sodium S-[2-({4-[(3aR,7aS)-1,3-Dioxooctahydro-2H-Isoindol-2-Yl]Butyl}Amino)Ethyl] Hydrogen Phosphorothioate
[CAS# 31750-91-1]

Identification

• Name: Sodium S-[2-({4-[(3aR,7aS)-1,3-Dioxooctahydro-2H-Isoindol-2-Yl]Butyl}Amino)Ethyl] Hydrogen Phosphorothioate
• Synonyms: sodium s-[2-({4-[(3ar,7as)-1,3-dioxooctahydro-2h-isoindol-2-yl]butyl}amino)ethyl] hydrogen phosphorothioate
• Molecular Formula: C₁₄H₂₄N₂NaO₅PS
• Molecular Weight: 386.38
• CAS Registry Number: 31750-91-1
• SMILES: [Na+].[O-]P(=O)(O)SCCNCCCCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O
• InChI: 1S/C14H25N2O5PS.Na/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-4-3-7-15-8-10-23-22(19,20)21;/h11-12,15H,1-10H2,(H2,19,20,21);/q;+1/p-1/t11-,12+
• InChIKey: AQXWHRPIXSEZDS-IWKKHLOMSA-M

Properties

• Boiling point: 635°C at 760 mmHg (Cal.)
• Flash point: 337.8°C (Cal.)