Denatonium acetate monohydrate
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;acetate;hydrate
Molecular Identity
Denatonium acetate monohydrate
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;acetate;hydrate
PubChem CID: 168429466
2D Structure
Properties
C23H34N2O4
Molecular Formula
402.50
Molecular Weight
g/mol
402.2519
Exact Mass
Da
70.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
401
Complexity
SMILES
Canonical SMILES
SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.CC(=O)[O-].OIsomeric SMILES
SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.CC(=O)[O-].OSynonyms(5)
DENATONIUM ACETATE MONOHYDRATEARD-101YE84H43CRFRefChem:1083145CHEMBL5314947
Data from PubChem (NCBI)
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Trials and conditions connected to Denatonium acetate monohydrate
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