Chem
J-GLOBAL ID：200907031897122505   Nikkaji number：J245.594C

Ipratropium

イプラトロピウム
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： C20H30[N+]O3
Molecular formula furigana： C20-H30-N-O3
Molecular weight： 332.463
InChI： InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18?,19-,21?/m1/s1
InChI key： OEXHQOGQTVQTAT-PPAWOBCPSA-N
SMILES： CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
Systematic name  (2)：
  • (1R,5S,8-syn)-3α-[(S)-3-ヒドロキシ-1-オキソ-2-フェニルプロポキシ]-8-メチル-8-イソプロピル-8-アゾニアビシクロ[3.2.1]オクタン
  • (1R,5S,8-syn)-3α-[(S)-α-(ヒドロキシメチル)ベンジルカルボニルオキシ]-8-メチル-8-(1-メチルエチル)-8-アゾニアビシクロ[3.2.1]オクタン
Other name (3)：
  • (1R,5S,8-syn)-3α-[(S)-α-(Hydroxymethyl)benzylcarbonyloxy]-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane
  • イプラトロピウム
  • Ipratropium
CAS registry number： 60205-81-4
KEGG COMPOUND： C07052
Application (3)：
bronchodilator ,  cholinolytic drug ,  antiasthmatic drug
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