Chem
J-GLOBAL ID：200907093246655217   Nikkaji number：J261.702A

(22R)-Budesonide

(22R)-ブデソニド
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： C25H34O6
Molecular formula furigana： C25-H34-O6
Molecular weight： 430.541
InChI： InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
InChI key： VOVIALXJUBGFJZ-VXKMTNQYSA-N
SMILES： CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Systematic name  (3)：
  • 16α,17-[(R)-ブチリデンビスオキシ]-11β,21-ジヒドロキシプレグナ-1,4-ジエン-3,20-ジオン
  • (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-ヒドロキシ-8-(2-ヒドロキシアセチル)-9,13-ジメチル-6-プロピル-5,7-ジオキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-14,17-ジエン-16-オン
  • (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Other name (3)：
  • 16α,17-[(R)-Butylidenebisoxy]-11β,21-dihydroxypregna-1,4-diene-3,20-dione
  • (22R)-ブデソニド
  • (22R)-Budesonide
CAS registry number： 51372-29-3
Regulation number (1)：
  • EINECS2571617
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