Chem
J-GLOBAL ID：201407065019487860   Nikkaji number：J3.280.819K

Umeclidinium

ウメクリジニウム
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： C29H34[N+]O2
Molecular formula furigana： C29-H34-N-O2
Molecular weight： 428.595
InChI： InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
InChI key： FVTWTVQXNAJTQP-UHFFFAOYSA-N
SMILES： OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Systematic name  (3)：
  • 1-[2-(ベンジルオキシ)エチル]-4-[ジフェニル(ヒドロキシ)メチル]-1-アゾニアビシクロ[2.2.2]オクタン
  • 1-[2-(ベンジルオキシ)エチル]-4-(ヒドロキシジフェニルメチル)-1-アザビシクロ[2.2.2]オクタン-1-イウム
  • 1-[2-(benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium
Other name (3)：
  • 1-[2-(Benzyloxy)ethyl]-4-[diphenyl(hydroxy)methyl]-1-azoniabicyclo[2.2.2]octane
  • ウメクリジニウム
  • Umeclidinium
CAS registry number： 869185-19-3
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