DILAUROYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H62NO5.CH3O4S
Molecular Weight	639.925
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DILAUROYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCC

InChI

InChIKey=VBVFXGOWQMRMOR-UHFFFAOYSA-M

InChI=1S/C31H62NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-30(34)36-28-25-32(3,24-27-33)26-29-37-31(35)23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h33H,4-29H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula	C31H62NO5
Molecular Weight	528.8277
Charge	1
Count

Stereochemistry	RACEMIC
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 01:58:36 GMT 2023` Edited by `admin` on `Sat Dec 16 01:58:36 GMT 2023`
Record UNII	91Y7978L5T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DILAUROYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Common Name

English

ETHANAMINIUM, N-(2-HYDROXYETHYL)-N-METHYL-2-((1-OXODODECYL)OXY)-N-(2-((1-OXODODECYL)OXY)ETHYL)-, METHYL SULFATE (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10176664

Created by admin on Sat Dec 16 01:58:36 GMT 2023 , Edited by admin on Sat Dec 16 01:58:36 GMT 2023

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FDA UNII

91Y7978L5T

Created by admin on Sat Dec 16 01:58:36 GMT 2023 , Edited by admin on Sat Dec 16 01:58:36 GMT 2023

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PUBCHEM

11125091

Created by admin on Sat Dec 16 01:58:36 GMT 2023 , Edited by admin on Sat Dec 16 01:58:36 GMT 2023

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CAS

221315-87-3

Created by admin on Sat Dec 16 01:58:36 GMT 2023 , Edited by admin on Sat Dec 16 01:58:36 GMT 2023

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