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Chemical structure of Propantheline-d3 bromide

GC71684

Propantheline-d3 bromide

Also known as di(propan-2-yl)-(trideuteriomethyl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide

Propantheline-d3 (bromide) is the deuterium labeled Propantheline bromide

ChemicalCAS64717-35-7MW451.41FormulaC23H27D3BrNO3
CAS number
64717-35-7
Molecular weight
451.41
Formula
C23H27D3BrNO3
Solubility
DMSO ： 100 mg/mL (221·53 mM; Need ultrasonic); DMSO ： ≥ 100 mg/mL (221·53 mM); H2O ： 50 mg/mL (110·76 mM; Need ultrasonic)
InChIKey
XLBIBBZXLMYSFF-OWKBQAHQSA-M
Catalogue number
GC71684
Brand
GLPBIO
Computed properties PubChem CID 12491590 · TPSA 35.5 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
35.5 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28

SMILES [2H]C([2H])([2H])[N+](CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)(C(C)C)C(C)C.[Br-]

Computed descriptors from PubChem (CID 12491590), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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