Naflocort
[CAS# 59497-39-1]

Identification

• Name: Naflocort
• Synonyms: 9-Fluoro-1',4'-Dihydro-11Beta,21-Dihydroxy-2'Betah-Naphtho(2',3':16,17)Pregna-1,4-Diene-3,20-Dione Monohydrate; Naflocort [Usan:Inn]; Naflocort Hydrate
• Molecular Formula: C₂₉H₃₅FO₅
• Molecular Weight: 482.59
• CAS Registry Number: 59497-39-1
• SMILES: C6=C5CC4(C1(C(C3C(F)(C(O)C1)C2(C(=CC(=O)C=C2)CC3)C)CC4CC5=CC=C6)C)C(=O)CO.O
• InChI: 1S/C29H33FO4.H2O/c1-26-10-9-21(32)12-19(26)7-8-22-23-13-20-11-17-5-3-4-6-18(17)14-28(20,25(34)16-31)27(23,2)15-24(33)29(22,26)30;/h3-6,9-10,12,20,22-24,31,33H,7-8,11,13-16H2,1-2H3;1H2
• InChIKey: XBGQGAPUUJJOTA-UHFFFAOYSA-N

Properties

• Boiling point: 634.7°C at 760 mmHg (Cal.)
• Flash point: 337.6°C (Cal.)