Basic information
- CAS
105360-89-2- Standard SMILES
CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1- InChIKey
NQHNLNLJPDMBFN-UHFFFAOYSA-O- Molecular formula
- C29H43N2O4+
- Average molar mass
- 483.7 g/mol
- Monoisotopic mass
- 483.32228286
Overview
Otilonium bromide is a member of benzamides.
Names & identifiers
- Preferred name
- Otilonium
- IUPAC
- diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium
- English name
- N,N-Diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]ethanaminium
- Molecular weight
- 0
Names & synonyms
OTILONIUMOctylonium105360-89-2Otilonium ionOtilonium cation6330179ARUN,N-Diethyl-N-methyl-2-(4-(2-(octyloxy)benzamido)benzoyloxy)ethanaminiumEthanaminium, N,N-diethyl-N-methyl-2-((4-((2-(octyloxy)benzoyl)amino)benzoyl)oxy)-2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoateNCGC00163507-01Diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azaniumUNII-6330179ARU
Show more names
N,N-Diethyl-N-methyl-2-[4-[(2-octyloxybenzoyl)amino]benzoyloxy]ethanaminiumN,N-Diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]ethanaminium
OTILONIUM [WHO-DD]orb1225484CHEMBL1433361DTXSID0048391SCHEMBL20352274SCHEMBL31646954CHEBI:135780DB13500
Database identifiers
- CAS
105360-89-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 35
- Formal charge
- 1
- Complexity
- 599
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 6330179 ARU · 6330179ARU
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
斯派螺（武汉）药物研发有限公司[email protected]
济南思考化学有限公司0531-0000 · [email protected]
Additional notes
DefinitionChEBI: Otilonium bromide is a member of benzamides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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