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Details

Stereochemistry RACEMIC
Molecular Formula C13H32N2O.2I
Molecular Weight 486.2149
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PLEGATIL

SMILES

[I-].[I-].CC[N+](C)(CC)CC(C)OCC[N+](C)(C)C

InChI

InChIKey=RUBDHVDUWRMJGL-UHFFFAOYSA-L
InChI=1S/C13H32N2O.2HI/c1-8-15(7,9-2)12-13(3)16-11-10-14(4,5)6;;/h13H,8-12H2,1-7H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula C13H32N2O
Molecular Weight 232.406
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:22:56 GMT 2023
Edited
by admin
on Sat Dec 16 18:22:56 GMT 2023
Record UNII
D872QC4UD7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PLEGATIL
MI  
Common Name English
METHYLOXAMETHONIUM IODIDE
Common Name English
PLEGATIL [MI]
Common Name English
5.2-(2-DIMETHYLAMINOETHOXY)-N,N-DIETHYLPROPYLAMINE DIMETHIODIDE
Systematic Name English
N,N-DIETHYL-N-METHYL-2-(2-(TRIMETHYLAMMONIO)ETHOXY)-1-PROPANAMINIUM DIIODIDE
Systematic Name English
HL-8731
Code English
1-PROPANAMINIUM, N,N-DIETHYL-N-METHYL-2-(2-(TRIMETHYLAMMONIO)ETHOXY)-, IODIDE (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
D872QC4UD7
Created by admin on Sat Dec 16 18:22:56 GMT 2023 , Edited by admin on Sat Dec 16 18:22:56 GMT 2023
PRIMARY
PUBCHEM
40822
Created by admin on Sat Dec 16 18:22:56 GMT 2023 , Edited by admin on Sat Dec 16 18:22:56 GMT 2023
PRIMARY
MERCK INDEX
m409
Created by admin on Sat Dec 16 18:22:56 GMT 2023 , Edited by admin on Sat Dec 16 18:22:56 GMT 2023
PRIMARY Merck Index
CAS
53597-29-8
Created by admin on Sat Dec 16 18:22:56 GMT 2023 , Edited by admin on Sat Dec 16 18:22:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID90968367
Created by admin on Sat Dec 16 18:22:56 GMT 2023 , Edited by admin on Sat Dec 16 18:22:56 GMT 2023
PRIMARY