Structure via PubChem · Public domain (PubChem)
In the Vinony graph
Within Vinony's link graph, cimetropium bromide is referenced by 454 other articles, and connects out to L-scopolamine, atropine and muscarinic acetylcholine receptor family.
Vinony files it under Bromides, Chemical pages without DrugBank identifier and Cyclopropyl compounds.
Its subject is documented across 6 Wikipedia language editions.
Chemical data
- Formula
- C21H28BrNO4
- Molecular weight
- 438.4 g/mol
- IUPAC name
- [(1S,2S,4R,5R)-9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate bromide
- SMILES
- C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4)CC5CC5.[Br-]
- InChIKey
- WDURTRGFUGAJHA-MMQBYREUSA-M
- Polar surface area
- 59.1 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 437.12017
Show 3 more facts
- chemical formula
- C₂₁H₂₈BrNO₄
- canonical SMILES
- C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)CC5CC5.[Br-]
- isomeric SMILES
- C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4)CC5CC5.[Br-]
Sources (1)
via Wikidata · CC0
Connections
L-scopolamine
Entity
atropine
Entity
muscarinic acetylcholine receptor family
Entity
butylscopolamine bromide
Entity
propantheline bromide
Entity
muscarinic antagonist
Entity
pipenzolate bromide
Entity
medication
Entity
digital object identifier
Entity
chemical formula
Entity
Atropa bella-donna
Entity
Mentha × piperita
Entity
molar mass
Entity
PubMed
Entity
acetylcholine
Entity
bibcode
Entity
irritable bowel syndrome
Entity
CAS Registry Number
Entity
Mamba
Entity
abdominal pain
Entity
Categories
BromidesChemical pages without DrugBank identifierCyclopropyl compoundsDrugboxes which contain changes to verified fieldsDrugboxes which contain changes to watched fieldsDrugs with no legal statusECHA InfoCard ID from WikidataEpoxidesM1 receptor antagonistsM2 receptor antagonistsM3 receptor antagonistsM4 receptor antagonistsM5 receptor antagonistsQuaternary ammonium compoundsTropanes