Ethybenztropine
Basic information
- CAS
524-83-4- Standard SMILES
CCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1)C2- InChIKey
PHTMLLGDZBZXMW-AERCQKQUSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Overview
Etybenzatropine is a diarylmethane.
Names & identifiers
- Preferred name
- Ethybenztropine
- IUPAC
- (1S,5R)-3-benzhydryloxy-8-ethyl-8-azabicyclo[3.2.1]octane
- English name
- Etybenzatropine
- Molecular formula
- C22H27NO
- Molecular weight
- 321.46
Names & synonyms
EthybenztropineEtybenzatropine524-83-4EtibenzatropinaPanolidUK-738Ethybenztropine [USAN]Etybenzatropine [INN]G1X2X9N95N(1S,5R)-3-benzhydryloxy-8-ethyl-8-azabicyclo[3.2.1]octaneEtybenzatropine (INN)3alpha-(Diphenylmethoxy)-8-ethyl-1alphaH,5alphaH-nortropane
Show more names
VK-738PonalideEtybenzatropine USP/EP/BP8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-ethyl-, (3-endo)-
Ethybenztropine (USAN)EthylbenatropineEthylbenztropine8-Azabicyclo(3.2.1)octane, 3-(diphenylmethoxy)-8-ethyl-, endo-EtybenztropinumEtybenzatropinumPonalid;UK 738Etibenzatropina [DCIT]
Database identifiers
- CAS
524-83-4- PubChem CID
- 20055089
- DTXSID
DTXSID50905096- ChEMBL
CHEMBL2104273- ChEBI
CHEBI:135972- UNII
- G1X2X9N95N
- Nikkaji
- J59.381H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 460.2 °C · 460.2°C (rough estimate)
- Density
- 1.0454 · 1.0454 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- pka
- 9.911 · 9.911±0.10(predicted)
- FDA UNII
- 1 X2X9N95N · G1X2X9N95N
- ATC code
- 4 AC30 · N04AC30
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Applications
UsesAnticholinergic.
Additional notes
DefinitionChEBI: Etybenzatropine is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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