Basic information
- CAS
53597-29-8- Standard SMILES
CC[N+](C)(CC)CC(C)OCC[N+](C)(C)C.[I-].[I-]- InChIKey
RUBDHVDUWRMJGL-UHFFFAOYSA-L- Molecular formula
- C13H32I2N2O
- Average molar mass
- 486.22 g/mol
- Monoisotopic mass
- 486.06041
Names & identifiers
- Preferred name
- Plegatil
- IUPAC
- diethyl-methyl-[2-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide
Names & synonyms
PlegatilHL-8731UNII-D872QC4UD7D872QC4UD753597-29-8PLEGATIL [MI]beta-Dimethylaminoethyl beta'-diethylamino-alpha'-methylethyl ether dimethiodideN,N-Diethyl-N-methyl-2-(2-(trimethylammonio)ethoxy)-1-propanaminium diiodideMETHYLOXAMETHONIUM IODIDE2-(2-Dimethylaminoethoxy)-N,N-diethylpropylamine dimethiodide2-Dimethylaminoethyl 2'-diethylaminoisopropyl ether bismethiodideAmmonium, (((2-(diethylmethylammonio)-1-methyl)ethoxy)ethyl)trimethyl-, diiodide
Show more names
N,N-Diethyl-N,N',N',N'-tetramethyl-N,N'-(2-methyl-3-oxapentamethylene)bis(ammonium iodide)1-Propanaminium, N,N-diethyl-N-methyl-2-(2-(trimethylammonio)ethoxy)-, diiodideAMMONIUM, (2-METHYL-2-(2-(TRIMETHYLAMMONIO)ETHOXY)ETHYL)DIETHYLMETHYL-, DIIODIDE5.2-(2-DIMETHYLAMINOETHOXY)-N,N-DIETHYLPROPYLAMINE DIMETHIODIDE1-PROPANAMINIUM, N,N-DIETHYL-N-METHYL-2-(2-(TRIMETHYLAMMONIO)ETHOXY)-, IODIDE (1:2)RefChem:2026511-Propanaminium, N,N-diethyl-N-methyl-2-(2-(trimethylammonio)ethoxy)-, diiodide (9CI)DTXSID90968367
Database identifiers
- CAS
53597-29-8- PubChem CID
- 40822
- DTXSID
DTXSID90968367- UNII
- D872QC4UD7
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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