Chem
J-GLOBAL ID:200907093246655217
Nikkaji number:J261.702A
(22R)-Budesonide
(22R)-ブデソニド
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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 H34 O6
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):
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