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Chemical structure of Acetylcholine-d4 bromide

GC76029

Acetylcholine-d4 bromide

Also known as (2-acetyloxy-1,1,2,2-tetradeuterioethyl)-trimethylazanium bromide

Acetylcholine-d4 (bromide) is the deuterium labeled Acetylcholine bromide

ChemicalCAS93449-31-1MW230.14FormulaC7H12D4BrNO2
CAS number
93449-31-1
Molecular weight
230.14
Formula
C7H12D4BrNO2
Solubility
H2O： 250 mg/mL (1086·30 mM; Need ultrasonic)
InChIKey
ZEHGKSPCAMLJDC-NXMSQKFDSA-M
Catalogue number
GC76029
Brand
GLPBIO
Computed properties PubChem CID 131701151 · TPSA 26.3 Ų · H-bond donors 0 · H-bond acceptors 3
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11

SMILES [2H]C([2H])(C([2H])([2H])OC(=O)C)[N+](C)(C)C.[Br-]

Computed descriptors from PubChem (CID 131701151), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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