(7alpha,8xi,11beta,16alpha)-7-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
[CAS# 67452-97-5]

Identification

• Name: (7alpha,8xi,11beta,16alpha)-7-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
• Synonyms: 7α-Chloro-16α-methylprednisolone; Aclometasone
• Molecular Formula: C₂₂H₂₉ClO₅
• Molecular Weight: 408.92
• CAS Registry Number: 67452-97-5
• SMILES: C[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)Cl
• InChI: 1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1
• InChIKey: FJXOGVLKCZQRDN-PHCHRAKRSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 607.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 320.9±31.5°C (Cal.)