Poldine
Basic information
- CAS
596-50-9- Standard SMILES
C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
CQRKVVAGMJJJSR-UHFFFAOYSA-N- Molecular formula
- C21H26NO3+
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.19126869
Overview
Poldine is a diarylmethane.
Names & identifiers
- Preferred name
- Poldine
- IUPAC
- (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
- English name
- poldine
- Molecular weight
- 0
Names & synonyms
Poldine596-50-98R92106W2FDTXSID60862161Pyrrolidinium, 2-(((hydroxydiphenylacetyl)oxy)methyl)-1,1-dimethyl-RefChem:175022DTXCID608109652-(((2-hydroxy-2,2-diphenylacetyl)oxy)methyl)-1,1-dimethylpyrrolidin-1-ium(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetateUNII-8R92106W2FPOLDINE [WHO-DD]SCHEMBL1641786
Show more names
2-[[(Hydroxydiphenylacetyl)oxy]methyl]-1,1-dimethylpyrrolidin-1-ium(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-di(phenyl)acetate(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-di(phenyl)ethanoate2-hydroxy-2,2-di(phenyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl ester
CHEMBL2110948CHEBI:135443DB13507Q72092342-({[Hydroxydi(phenyl)acetyl]oxy}methyl)-1,1-dimethylpyrrolidin-1-ium
Database identifiers
- CAS
596-50-9- PubChem CID
- 11018
- DTXSID
DTXSID60862161- ChEMBL
CHEMBL2110948- ChEBI
CHEBI:135443- UNII
- 8R92106W2F
- Nikkaji
- J6.785G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 432
Physicochemical properties
- FDA UNII
- 8 R92106W2F · 8R92106W2F
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Applications
UsesAnticholinergic.
Additional notes
DefinitionChEBI: Poldine is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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