Basic information
- CAS
306-41-2- Standard SMILES
C[N+](C)(C)CCOC(=O)NCCCCCCNC(=O)OCC[N+](C)(C)C.[Br-].[Br-]- InChIKey
AFWBFAMUEOVLFX-UHFFFAOYSA-N- Molecular formula
- C18H40Br2N4O4
- Average molar mass
- 536.3 g/mol
- Monoisotopic mass
- 534.14163
Overview
structure
Names & identifiers
- Preferred name
- Hexcarbacholine Bromide
- IUPAC
- trimethyl-[2-[6-[2-(trimethylazaniumyl)ethoxycarbonylamino]hexylcarbamoyloxy]ethyl]azanium dibromide
Names & synonyms
Hexcarbacholine bromideCarbolonium bromideImbretilHexacarbacholine bromideBromure d'hexcarbacholineBromuro de hexacarbacolinaHexcarbacholini bromidumNM87THP11PDTXSID70878374RefChem:146298DTXCID101016423choline bromide hexamethylenedicarbamate /OD/ imbretil /OD/ carbolonium bromide
Show more names
N,N'-Hexamethylen bis(O-carbamoylcholin)dibromideN,N,N,N',N',N'-Hexamethyl-4,13-dioxo-3,14-dioxa-5,12-diazahexadecamethylendiammonium Dibromide306-41-2Hexcarbacholine bromide [INN]Choline bromide hexamethylenedicarbamateHexacarbacholini bromidumUNII-NM87THP11PBC 16
Database identifiers
- CAS
306-41-2- PubChem CID
- 71495
- DTXSID
DTXSID70878374- ChEMBL
CHEMBL2106285- UNII
- NM87THP11P
Properties
Computed structural properties
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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