Etipirium
Basic information
- CAS
54505-25-8- Standard SMILES
C[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCC1- InChIKey
VQBOTFUMIIUSAV-UHFFFAOYSA-N- Molecular formula
- C21H26NO3+
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.19126869
Names & identifiers
- Preferred name
- Etipirium
- IUPAC
- 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Names & synonyms
EtipiriumEtipirium ionEtipirium cationUNII-M102M1O19AM102M1O19APyrrolidinium, 1-(2-hydroxyethyl)-1-methyl-,benzilate1-(2-Hydroxyethyl)-1-methylpyrrolidinium benzilate (ester)54505-25-8Pyrrolidinium, 1-(2-((hydroxydiphenylacetyl)oxy)ethyl)-1-methylRefChem:139251CHEMBL2110828SCHEMBL29388403
Show more names
Q27283323
Database identifiers
- CAS
54505-25-8- PubChem CID
- 71522
- ChEMBL
CHEMBL2110828- UNII
- M102M1O19A
- Nikkaji
- J239.333F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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