tiotropium
CHEBI:CHEBI_90960
Definition
A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
Chemical Information
- Molecular Formula
- C19H22NO4S2
- Molecular Mass
- 392.515
- Charge
- +1
- SMILES
- O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O
- 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+
- InChIKey
- LERNTVKEWCAPOY-DZZGSBJMSA-N
Alternative Names
- (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
- 7-((hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane
- BA 679 BR
- BA-679 BR
Drug Classification
-
quaternary ammonium ionView Class →
CHEBI:35267
-
t316959
-
t317821
Important Medical Information
⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.
- Always consult with a healthcare professional before starting, stopping, or modifying any medication.
- Side effects may vary and this list may not be comprehensive.
- Drug interactions may occur with other medications.
Additional Identifiers
- DRON_00010000
- 69120
- oboInOwl#hasDbXref
- Reaxys:9806715
- core#notation
- CHEBI:90960
Additional References
🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.
Additional Attributes
- oboInOwl#hasOBONamespace
- chebi_ontology
- DRON_00010000
- 69120
- oboInOwl#hasDbXref
- Reaxys:9806715
- oboInOwl#id
- CHEBI:90960
- core#notation
- CHEBI:90960
- RO_0000087
- http://purl.obolibrary.org/obo/CHEBI_48876
- oboInOwl#inSubset
- http://purl.obolibrary.org/obo/chebi#3_STAR
- 22-rdf-syntax-ns#type
- http://www.w3.org/2002/07/owl#Class
- has_treatment
- http://purl.obolibrary.org/obo/DOID_2841
- rdf-schema#domain
- https://w3id.org/def/predibionto#has_side_effect38227
- owl#annotatedSource
- t317576
- owl#someValuesFrom
- t3499788