Sodium 4-{[(11beta,16alpha)-9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoate
[CAS# 94135-37-2]

Identification

• Name: Sodium 4-{[(11beta,16alpha)-9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoate
• Synonyms: Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, monosodium salt, (11β,16α)-
• Molecular Formula: C₂₅H₃₀FNaO₉
• Molecular Weight: 516.49
• CAS Registry Number: 94135-37-2
• EINECS: 302-906-4
• SMILES: [Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]4(O)[C@H](O)C[C@H]3[C@@H]2CC/C1=C/C(=O)/C=C\[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C
• InChI: 1S/C25H31FO9.Na/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32;/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32);/q;+1/p-1/t15-,16-,17+,18-,22-,23-,24-,25-;/m0./s1
• InChIKey: DZWFFZQAQHUHBB-HTVPOGIWSA-M