Sodium 11,17-Dihydroxy-3,20-Dioxopregna-1,4-Dien-21-Yl Hydrogen Phosphate
[CAS# 2681-16-5]

Identification

• Name: Sodium 11,17-Dihydroxy-3,20-Dioxopregna-1,4-Dien-21-Yl Hydrogen Phosphate
• Synonyms: PREDNISOLONE MONOSODUIM PHOSPHATE; Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, monosodium salt, (11β)-
• Molecular Formula: C₂₁H₂₈NaO₈P
• Molecular Weight: 462.41
• CAS Registry Number: 2681-16-5
• EINECS: 220-238-0
• SMILES: [Na+].[O-]P(=O)(O)OCC(=O)C3(O)C2(CC(O)C4C/1(\C(=C/C(=O)\C=C\1)CCC4C2CC3)C)C
• InChI: 1S/C21H29O8P.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);/q;+1/p-1
• InChIKey: WDKXLAIROMOVNT-UHFFFAOYSA-M

Properties

• Boiling point: 674.8°C at 760 mmHg (Cal.)
• Flash point: 361.9°C (Cal.)
• Refractive index: (Cal.)