Basic information
- CAS
16376-74-2- Standard SMILES
CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1- InChIKey
UPPMZCXMQRVMME-UHFFFAOYSA-N- Molecular formula
- C19H32NO2+
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.24330426
Overview
Valethamate is an alkylbenzene.
Names & identifiers
- Preferred name
- Valethamate
- IUPAC
- diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium
- English name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, 3-methyl-2-phenylvalerate (ester) (8CI)
- Molecular formula
- C19H32NO2+
- Molecular weight
- 306.47
Names & synonyms
Valethamate16376-74-2Valethamate ionValethamate cationD64S64QVX7N,N-Diethyl-N-methyl-2-(3-methyl-2-phenylvaleryloxy)ethylammoniumN,N-Diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpentyl)oxy)ethanaminiumEthanaminium, N,N-diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpentyl)oxy)-N,N-Diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpent yl)oxy)ethanaminiumRefChem:193564diethyl(methyl)(2-((3-methyl-2-phenylpentanoyl)oxy)ethyl)azaniumUNII-D64S64QVX7
Show more names
3-Methyl-2-phenylvaleric acid methyldiethylammonioethyl esterN,N-Diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]ethanaminiumN-Methyl-N,N-diethyl-N-[2-(1-phenyl-2-methylbutylcarbonyloxy)ethyl]aminiumEthanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]- (9CI)Ammonium, diethyl(2-hydroxyethyl)methyl-, 3-methyl-2-phenylvalerate (ester) (8CI)
EpidosanNCGC00185757-01LetamateVelamateElistRelease Vdiethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azaniumVALETHAMATE [WHO-DD]
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 319
Physicochemical properties
- FDA UNII
- 64 S64QVX7 · D64S64QVX7
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: Valethamate is an alkylbenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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