Chem
J-GLOBAL ID:200907067245161996
Nikkaji number:J2.508.879D
Halobetasolpropionate
ハロベタソールプロピオナート
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C25 H31 ClF2 O5
Molecular formula furigana:
C25-H31-CL-F2-O5
Molecular weight:
484.960
InChI:
InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1
InChI key:
BDSYKGHYMJNPAB-LICBFIPMSA-N
SMILES:
CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl
Systematic name (3):
6α,9α-ジフルオロ-16β-メチル-21-クロロ-3,20-ジオキソプレグナ-1,4-ジエン-11β,17α-ジオール17-プロピオナート
(1R,2S,3aS,3bS,5S,9aS,9bR,10S,11aS)-1-(2-クロロアセチル)-5,9b-ジフルオロ-10-ヒドロキシ-2,9a,11a-トリメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル プロパノアート
(1R,2S,3aS,3bS,5S,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-5,9b-difluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
Other name (3):
6α,9α-Difluoro-16β-methyl-21-chloro-3,20-dioxopregna-1,4-diene-11β,17α-diol 17-propionate
ハロベタソールプロピオナート
Halobetasolpropionate
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