Dimetipirium
Basic information
- CAS
59270-39-2- Standard SMILES
CC1CCC(C)[N+]1(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
XPDQVVMCVFQWCC-UHFFFAOYSA-N- Molecular formula
- C23H30NO3+
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.22256882
Names & identifiers
- Preferred name
- Dimetipirium
- IUPAC
- 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Names & synonyms
DimetipiriumDimetipirium ionDimetipirium cationUNII-G6HC90DT3XG6HC90DT3X59270-39-21-(2-HYDROXYETHYL)-1,2,5-TRIMETHYLPYRROLIDINIUM BENZILATEPYRROLIDINIUM, 1-(2-((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)ETHYL)-1,2,5-TRIMETHYL-RefChem:134398CHEMBL2110612SCHEMBL29387697Q27278842
Database identifiers
- CAS
59270-39-2- PubChem CID
- 176162
- ChEMBL
CHEMBL2110612- UNII
- G6HC90DT3X
- Nikkaji
- J238.303I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 466
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Compound notes
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