Aclatonium

HCID 2009

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 55077-25-3
Standard SMILES: CC(=O)OC(C)C(=O)OCC[N+](C)(C)C
InChIKey: SRZGFCNCQUMTCP-UHFFFAOYSA-N
Molecular formula: C10H20NO4+
Average molar mass: 218.27 g/mol
Monoisotopic mass: 218.13923312

Overview

Aclatonium is an acylcholine.

Names & identifiers

Preferred name: Aclatonium
IUPAC: 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium

Names & synonyms

AclatoniumCholine lactate, acetateAclatonium ionAclatonium cationUNII-UC6I41G62NUC6I41G62N2-(2-(Acetyloxy)-1-oxopropoxy)-N,N,N-trimethylethanaminiumEthanaminium, 2-(2-(acetyloxy)-1-oxopropoxy)-N,N,N-trimethyl-ACLATONIUM [WHO-DD]2-[2-(Acetyloxy)-1-oxopropoxy]-N,N,N-trimethylethanaminiumRefChem:10927455077-25-3

Show more names

2-(2-acetyloxypropanoyloxy)ethyl-trimethylazaniumSCHEMBL9794918CHEMBL2110902CHEBI:134901DTXSID901191750C20131Q272910152-{[2-(Acetyloxy)propanoyl]oxy}-N,N,N-trimethylethan-1-aminium

Database identifiers

CAS: 55077-25-3
PubChem CID: 2009
DTXSID: DTXSID901191750
ChEMBL: CHEMBL2110902
ChEBI: CHEBI:134901
UNII: UC6I41G62N
Nikkaji: J340.700D

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 1
Complexity: 232

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…