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tiotropium

Structure via PubChem · Public domain (PubChem)

EntityQ424316· pop 26· linked from 514 articles

tiotropium

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pharmaceutical drug

Chemical data

Formula
C19H22NO4S2+
Molecular weight
392.5 g/mol
IUPAC name
[(1R,2S,4R,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
SMILES
C[N+]1([C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
InChIKey
LERNTVKEWCAPOY-KYQOMENCSA-N
XLogP
2.3
Polar surface area
116 Ų
H-bond donors
1
H-bond acceptors
6
Formal charge
1

via PubChem

Wikidata facts

Mass
392.0990
Show 4 more facts
chemical formula
C₁₉H₂₂NO₄S₂
isomeric SMILES
C[N+]1([C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
canonical SMILES
C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
Commons category
Tiotropium
Sources (4)

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