DIOLEOYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C43H82NO5.CH3O4S
Molecular Weight	804.212
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of DIOLEOYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCC\C=C/CCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=LEEPBJHNOBBYOU-YIQDKWKASA-M

InChI=1S/C43H82NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,45H,4-17,22-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b20-18-,21-19-;

HIDE SMILES / InChI

Molecular Formula	C43H82NO5
Molecular Weight	693.1149
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	2
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 `Mon Mar 31 21:14:47 GMT 2025` Edited by `admin` on `Mon Mar 31 21:14:47 GMT 2025`
Record UNII	5UXX651CBS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TETRANYL CO-40

Preferred Name

English

DIOLEOYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Official Name

English

9-OCTADECENOIC ACID (Z)-, REACTION PRODUCTS WITH TRIETHANOLAMINE, DI-ME SULFATE-QUATERNIZED

Common Name

English

9-OCTADECENOIC ACID (9Z)-, REACTION PRODUCTS WITH TRIETHANOLAMINE, DI-ME SULFATE-QUATERNIZED

Common Name

English

Code System Code Type Description

CAS

94095-35-9

Created by admin on Mon Mar 31 21:14:47 GMT 2025 , Edited by admin on Mon Mar 31 21:14:47 GMT 2025

PRIMARY

FDA UNII

5UXX651CBS

Created by admin on Mon Mar 31 21:14:47 GMT 2025 , Edited by admin on Mon Mar 31 21:14:47 GMT 2025

PRIMARY

PUBCHEM

9832288

Created by admin on Mon Mar 31 21:14:47 GMT 2025 , Edited by admin on Mon Mar 31 21:14:47 GMT 2025

PRIMARY

ECHA (EC/EINECS)

302-242-5

Created by admin on Mon Mar 31 21:14:47 GMT 2025 , Edited by admin on Mon Mar 31 21:14:47 GMT 2025

PRIMARY

Related Record Type Details


					R24I7CLU7K

Methyl sulfate

PARENT -> SALT/SOLVATE