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Details

Stereochemistry ACHIRAL
Molecular Formula C35H70NO5.CH3O4S
Molecular Weight 696.031
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMYRISTOYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCC

InChI

InChIKey=XMIVTOLVWCOYLV-UHFFFAOYSA-M
InChI=1S/C35H70NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-34(38)40-32-29-36(3,28-31-37)30-33-41-35(39)27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h37H,4-33H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C35H70NO5
Molecular Weight 584.934
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
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 02:17:31 GMT 2023
Edited
by admin
on Sat Dec 16 02:17:31 GMT 2023
Record UNII
48K3ON33ZF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMYRISTOYLETHYL HYDROXYETHYLMONIUM METHOSULFATE
Common Name English
ETHANAMINIUM, N-(2-HYDROXYETHYL)-N-METHYL-2-((1-OXOTETRADECYL)OXY)-N-(2-((1-OXOTETRADECYL)OXY)ETHYL)-, METHYL SULFATE (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
71587858
Created by admin on Sat Dec 16 02:17:31 GMT 2023 , Edited by admin on Sat Dec 16 02:17:31 GMT 2023
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EPA CompTox
DTXSID10238271
Created by admin on Sat Dec 16 02:17:31 GMT 2023 , Edited by admin on Sat Dec 16 02:17:31 GMT 2023
PRIMARY
CAS
908128-41-6
Created by admin on Sat Dec 16 02:17:31 GMT 2023 , Edited by admin on Sat Dec 16 02:17:31 GMT 2023
PRIMARY
FDA UNII
48K3ON33ZF
Created by admin on Sat Dec 16 02:17:31 GMT 2023 , Edited by admin on Sat Dec 16 02:17:31 GMT 2023
PRIMARY