Penoctonium Bromide
Basic information
- CAS
17088-72-1- Standard SMILES
CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1.[Br-]- InChIKey
DWUPDLOTOYWYQT-UHFFFAOYSA-M- Molecular formula
- C26H50BrNO2
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 487.30249
Names & identifiers
- Preferred name
- Penoctonium Bromide
- IUPAC
- 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium bromide
- English name
- Penoctonium bromide
- Molecular formula
- C26H50BrNO2
- Molecular weight
- 488.5847
Names & synonyms
Penoctonium BromidePenoctonium bromide [INN]Bromuro de penoctonioBromure de penoctonium17088-72-1Penoctonii bromidumUG 767Penoctonii bromidum [INN-Latin]UNII-HF11NTT6MZHF11NTT6MZBromure de penoctonium [INN-French]Bromuro de penoctonio [INN-Spanish]
Show more names
Penoctoni
NSC 78884NSC-78884Diethyl(2-hydroxyethyl)octyl ammonium bromide dicyclopentylacetateDTXSID30904724alpha,alpha-Dicyclopentyl-acetic acid-diethylamino-ethylester bromoctylateAmmonium, diethyl(2-hydroxyethyl)octyl-, bromide, dicyclopentylacetatealpha,alpha-Dicyclopentylessigsaure-diaethylamino-aethylester-bromoctylat [German]alpha,alpha-Dicyclopentylessigsaure-diaethylamino-aethylester-bromoctylat
Database identifiers
- CAS
17088-72-1- PubChem CID
- 71690
- DTXSID
DTXSID30904724- ChEMBL
CHEMBL2105305- UNII
- HF11NTT6MZ
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- form
- A solid
- FDA UNII
- 11 NTT6MZ · HF11NTT6MZ
- Toxicity
- 50 oral · LD50 oral in rat: 1200mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 1200mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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