Chem
J-GLOBAL ID:200907041898565830   Nikkaji number:J534.368B

Tiotropium

チオトロピウム
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: C19H22[N+]O4S2
Molecular formula furigana: C19-H22-N-O4-S2
Molecular weight: 392.510
InChI: InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+
InChI key: LERNTVKEWCAPOY-DZZGSBJMSA-N
SMILES: C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Systematic name  (5):
  • (1β,5β)-6β,7β-エポキシ-8,8-ジメチル-8-アゾニアビシクロ[3.2.1]オクタン-3α-オールヒドロキシビス(2-チエニル)アセタート
  • (1α,2β,4β,5α)-7β-[[ヒドロキシジ(2-チエニル)アセチル]オキシ]-9,9-ジメチル-3-オキサ-9-アゾニアトリシクロ[3.3.1.02,4]ノナン
  • (1α,2β,4β,5α,7β)-7-[(ヒドロキシジ-2-チエニルアセチル)オキシ]-9,9-ジメチル-3-オキサ-9-アゾニアトリシクロ[3.3.1.02,4]ノナン
  • (1R,2R,4S,5S,7R)-7-{[2-ヒドロキシ-2,2-ビス(チオフェン-2-イル)アセチル]オキシ}-9,9-ジメチル-3-オキサ-9-アザトリシクロ[3.3.1.02,4]ノナン-9-イウム
  • (1R,2R,4S,5S,7R)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium
Other name (5):
  • チオトロピウム
  • Tiotropium
  • (1α,2β,4β,5α)-7β-[[Hydroxydi(2-thienyl)acetyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane
  • (1β,5β)-6β,7β-Epoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3α-ol hydroxybis(2-thienyl)acetate
  • (1α,2β,4β,5α,7β)-7-[(Hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane
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