Basic information
- CAS
2001-81-2- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1.[Br-]- InChIKey
ADZXDFALMZGPTN-UHFFFAOYSA-M- Molecular formula
- C20H38BrNO2
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 403.20859
Overview
Diponium bromide is a quaternary ammonium salt.
Names & identifiers
- Preferred name
- Diponium Bromide
- IUPAC
- 2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium bromide
- English name
- diponium bromide
- Molecular formula
- C20H38NO2.Br
- Molecular weight
- 0
Names & synonyms
Diponium bromideDipenine BromideUnospastonSpaston2001-81-2Bromuro de diponioBromure de diponiumDiponii bromidumHL 267DTXSID2048797SA-267977A8K11XO
Show more names
DiponiumDipenineBromide USP/EP/BP2-(2,2-dicyclopentylacetyl)oxyethyl-triethyl-azanium bromide
HL-267DTXCID20287232,2-Dicyclopentylacetic acid 2'-diethylaminoethyl ester ethobromidediponio bromuroRefChem:920437triethyl(2-hydroxyethyl)ammonium bromide dicyclopentyl acetate217-891-9Diponium bromide [INN]
Database identifiers
- CAS
2001-81-2- PubChem CID
- 71809
- DTXSID
DTXSID2048797- ChEMBL
CHEMBL2106202- ChEBI
CHEBI:31510- UNII
- 977A8K11XO
- EC Number
- 217-891-9
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 185 · 185-186°
- FDA UNII
- 977 A8K11XO · 977A8K11XO
- Toxicity
- 50 in · LD50 in mice (mg/kg): 570 orally; 88 i.p.; 6.2 i.v. (Stille); in rats (mg/kg): 6.6 i.v.; 780 orally (Husler, Jahn)
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 in mice (mg/kg): 570 orally; 88 i.p.; 6.2 i.v. (Stille); in rats (mg/kg): 6.6 i.v.; 780 orally (Husler, Jahn)
Chemistry & industry
Suppliers3 total
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Diponium bromide is a quaternary ammonium salt.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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