Halopredone
[CAS# 57781-15-4]

Identification

• Name: Halopredone
• Synonyms: (6R,8S,10S,11S,13S,14S)-2-Bromo-6,9-Difluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (6R,8S,10S,11S,13S,14S)-2-Bromo-6,9-Difluoro-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (6R,8S,10S,11S,13S,14S)-2-Bromo-6,9-Difluoro-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₂₅BrF₂O₅
• Molecular Weight: 475.33
• CAS Registry Number: 57781-15-4
• EINECS: 260-953-5
• SMILES: [C@]34([C@H]([C@H]2C([C@@]1(C(=CC(C(=C1)Br)=O)[C@@H](C2)F)C)([C@H](C3)O)F)CCC4(C(=O)CO)O)C
• InChI: 1S/C21H25BrF2O5/c1-18-8-16(27)21(24)11(10(18)3-4-20(18,29)17(28)9-25)5-14(23)12-6-15(26)13(22)7-19(12,21)2/h6-7,10-11,14,16,25,27,29H,3-5,8-9H2,1-2H3/t10-,11-,14+,16-,18-,19-,20?,21?/m0/s1
• InChIKey: MYZDPUZXMFCPMU-JIPLOCHSSA-N

Properties

• Density: 1.595g/cm³ (Cal.)
• Boiling point: 611.847°C at 760 mmHg (Cal.)
• Flash point: 323.834°C (Cal.)