(16alpha)-7-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione | CAS No. 67452-97-5

(16alpha)-7-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione

Basic Information

CAS Number

67452-97-5

Molecular Formula

C22H29ClO5

Molecular Weight

408.92 g/mol

AD

Basic Physical Properties

Melting Point

176-179°

Specific Rotation

D26 +47.5° (c = 0.3 in DMF)

CC1CC2C3C(CC4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)Cl

InChI

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

LogP

2.0208999999999997

Topological Polar Surface Area

94.83 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

790

Synonyms & References

English

  • AKOS040741062
  • 7alpha-Chloro-16alpha-methyl Prednisolone
  • (7alpha,11beta,16alpha)-7-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • (7a,11b,16a)-7-Chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione
  • D07AB10
  • CHEMBL1201361
  • alclometasonum
  • CHEBI:53776
  • (1S,2R,9R,10S,11S,13R,14R,15S,17S)-9-chloro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
  • Aclometasone
  • 67452-97-5
  • (7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
  • 7a-hloro-16a-ethyl prednisolone
  • PREGNA-1,4-DIENE-3,20-DIONE, 7-CHLORO-11,17,21-TRIHYDROXY-16-METHYL-, (7.ALPHA.,11.BETA.,16.ALPHA.)-
  • DTXSID60867277
  • alclometasone
  • UNII-136H45TB7B
  • Alclometasone (INN)
  • ALCLOMETASONE [INN]
  • ALCLOMETASONE [WHO-DD]
  • ALCLOMETASONE [VANDF]
  • D07116
  • PREGNA-1,4-DIENE-3,20-DIONE, 7-CHLORO-11,17,21-TRIHYDROXY-16-METHYL-, (7alpha,11beta,16alpha)-
  • 136H45TB7B
  • SCHEMBL4127
  • Q4713192
  • ALCLOMETASONE [MI]
  • S01BA10
  • HY-A0150
  • EN300-25042268
  • (1R,2R,3aS,3bS,4R,9aR,9bS,10S,11aS)-4-chloro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

MDL Number

MFCD05662214

Customs Code

2942000000

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