21-(3-Carboxy-1-oxopropoxy)-Pregnane-3,20-dione sodium salt
[CAS# 53-10-1]

Identification

• Name: 21-(3-Carboxy-1-oxopropoxy)-Pregnane-3,20-dione sodium salt
• Synonyms: Sodium 4-[2-[(5R,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethoxy]-4-Oxo-Butanoate; Sodium 4-Keto-4-[2-Keto-2-[(5R,8R,9S,10S,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Ethoxy]Butyrate; Idrossidione Sodio Succinato [Dcit]
• Molecular Formula: C₂₅H₃₅NaO₆
• Molecular Weight: 454.54
• CAS Registry Number: 53-10-1
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1([C@@H](CC(=O)CC1)CC2)C)CC[C@@]3([C@@H](C(COC(CCC(=O)[O-])=O)=O)CC4)C.[Na+]
• InChI: 1S/C25H36O6.Na/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29;/h15,17-20H,3-14H2,1-2H3,(H,28,29);/q;+1/p-1/t15-,17+,18+,19+,20-,24+,25+;/m1./s1
• InChIKey: BFQDICGJHAONBN-OOFWROCWSA-M

Properties

• Boiling point: 594.1°C at 760 mmHg (Cal.)
• Flash point: 197.4°C (Cal.)