(6alpha,11beta,16alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl isonicotinate
[CAS# 94087-99-7]

Identification

• Name: (6alpha,11beta,16alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl isonicotinate
• Synonyms: 6α,9-difluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-isonicotinate
• Molecular Formula: C₂₈H₃₁F₂NO₆
• Molecular Weight: 515.55
• CAS Registry Number: 94087-99-7
• EINECS: 301-995-7
• SMILES: O=C(OCC(=O)[C@@]3(O)[C@H](C)C[C@H]2[C@@H]4C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C)c5ccncc5
• InChI: 1S/C28H31F2NO6/c1-15-10-18-19-12-21(29)20-11-17(32)4-7-25(20,2)27(19,30)22(33)13-26(18,3)28(15,36)23(34)14-37-24(35)16-5-8-31-9-6-16/h4-9,11,15,18-19,21-22,33,36H,10,12-14H2,1-3H3/t15-,18+,19+,21+,22+,25+,26+,27+,28+/m1/s1
• InChIKey: HBLWCWSTOFNBPO-STSYBKACSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 677.359°C at 760 mmHg (Cal.)
• Flash point: 363.454°C (Cal.)