Basic information
- CAS
13309-41-6- Standard SMILES
C[N+](C)(C)CCOC(=O)NCCCCCCNC(=O)OCC[N+](C)(C)C- InChIKey
MBWXZXUOKTXXBU-UHFFFAOYSA-P- Molecular formula
- C18H40N4O4+2
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.30495577
Overview
Hexcarbacholine is a carbamate ester.
Names & identifiers
- Preferred name
- Hexcarbacholine
- IUPAC
- trimethyl-[2-[6-[2-(trimethylazaniumyl)ethoxycarbonylamino]hexylcarbamoyloxy]ethyl]azanium
Names & synonyms
HEXCARBACHOLINECarboloniumHexcarbacholine [WHO-DD]Choline hexamethylenedicarbamateHexcarbacholine ionUNII-VG8ANM76JYVG8ANM76JYHexcarbacholine cation13309-41-6RefChem:146297CHEMBL2110842SCHEMBL29382090
Show more names
CHEBI:135582trimethyl-[2-[6-[2-(trimethylazaniumyl)ethoxycarbonylamino]hexylcarbamoyloxy]ethyl]azaniumNS00009254Q21547073
Database identifiers
- CAS
13309-41-6- PubChem CID
- 71496
- ChEMBL
CHEMBL2110842- ChEBI
CHEBI:135582- UNII
- VG8ANM76JY
- Nikkaji
- J247.663K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 2
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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