Oxeladin Citrate
[CAS# 52432-72-1]

Identification

• Name: Oxeladin Citrate
• Synonyms: 3-Carboxy-3,5-Dihydroxy-5-Oxo-Pentanoate; Diethyl-[2-[2-(2-Ethyl-2-Phenyl-Butanoyl)Oxyethoxy]Ethyl]Ammonium; 3-Carboxy-3,5-Dihydroxy-5-Oxopentanoate; Diethyl-[2-[2-(2-Ethyl-1-Oxo-2-Phenylbutoxy)Ethoxy]Ethyl]Ammonium; 3-Carboxy-3,5-Dihydroxy-5-Keto-Valerate; Diethyl-[2-[2-(2-Ethyl-2-Phenyl-Butanoyl)Oxyethoxy]Ethyl]Ammonium
• Molecular Formula: C₂₆H₄₁NO₁₀
• Molecular Weight: 527.61
• CAS Registry Number: 52432-72-1
• EINECS: 257-910-8
• SMILES: C1=C(C(C(OCCOCC[NH+](CC)CC)=O)(CC)CC)C=CC=C1.C(C(O)(C(=O)O)CC(=O)O)C([O-])=O
• InChI: 1S/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: KVKJFNUGVOFNGU-UHFFFAOYSA-N

Properties

• Boiling point: 421.2°C at 760 mmHg (Cal.)
• Flash point: 208.5°C (Cal.)