tiotropium (spiriva) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

332.42

ALogP

1.45

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[N+]1(C)[C@H]2C[C@H](C[C@H]1[C@H]3O[C@@H]23)OC(=O)[C@H](CO)c4ccccc4
  • InChIKey: NVOYVOBDTVTBDX-XGWMKZBJSA-N
    InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13-,14-,15+,16+,17+,18-,20?/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1739767   ChEMBL
oxitropium *

CHEMBL1182657   ChEMBL
tiotropium

CHEMBL1697846   ChEMBL
oxitropium bromide

CHEMBL1900528   ChEMBL
tiotropium

CHEMBL3545181   ChEMBL
tiotropium bromide

0EB439235F   NCATS
tiotropium *

Tiotropium bromide   Wikipedia

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