Triethylcholine
Basic information
- CAS
302-61-4- Standard SMILES
CC[N+](CC)(CC)CCO- InChIKey
GZBUMTPCIKCWFW-UHFFFAOYSA-N- Molecular formula
- C8H20NO+
- Average molar mass
- 146.25 g/mol
- Monoisotopic mass
- 146.15448926
Overview
triethyl analog of choline with parasympatholytic properties; cholinergic false transmitter that mainly affects skeletal muscles; minor descriptor (75-86); on line & INDEX MEDICUS search CHOLINE/AA (75-86); RN given refers to parent cpd
Names & identifiers
- Preferred name
- Triethylcholine
- IUPAC
- triethyl(2-hydroxyethyl)azanium
- English name
- triethylcholine
- Molecular weight
- 0
Names & synonyms
TriethylcholineTriethylaminoethanoltriethyl(2-hydroxyethyl)azanium9B2PFY5LLZ302-61-4Ethanaminium, N,N,N-triethyl-2-hydroxy-Triethyl (2-hydroxyethyl)ammonium chlorideDTXSID90952589RefChem:191526DTXCID60946910N,N,N-triethyl-N-2-hydroxyethylammoniumCHEMBL555023
Show more names
2-Hydroxyethyltriethylaminium2-Hydroxyethyltriethylammonium2-(N,N,N-Triethylaminio)ethanolN,N,N-Triethyl-2-hydroxyethaneaminium
UNII-9B2PFY5LLZTRIETHYLCHOLINE IONCHOLINE, TRIETHYL-TRIETHYLCHOLINE CATIONN,N,N-TRIETHYLCHOLINESCHEMBL476985CHEMBL318993GTPL4760
Database identifiers
- CAS
302-61-4- PubChem CID
- 80058
- DTXSID
DTXSID90952589- ChEMBL
CHEMBL318993、CHEMBL555023- UNII
- 9B2PFY5LLZ
- Nikkaji
- J13.558E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 71.1
Physicochemical properties
- FDA UNII
- 9 B2PFY5LLZ · 9B2PFY5LLZ
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate CHOLINERGIC RECEPTORS, thereby blocking the actions of ACETYLCHOLINE or cholinergic agonists.
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Compound notes
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