DICAPROYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H54NO5.CH3O4S
Molecular Weight	583.818
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DICAPROYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCC

InChI

InChIKey=RVXKFVXUAIHYNI-UHFFFAOYSA-M

InChI=1S/C27H54NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-26(30)32-24-21-28(3,20-23-29)22-25-33-27(31)19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h29H,4-25H2,1-3H3;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	C27H54NO5
Molecular Weight	472.7214
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 02:17:30 GMT 2023` Edited by `admin` on `Sat Dec 16 02:17:30 GMT 2023`
Record UNII	AIK47L977V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DICAPROYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

Common Name

English

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

Common Name

English

Code System Code Type Description

PUBCHEM

71587652

Created by admin on Sat Dec 16 02:17:30 GMT 2023 , Edited by admin on Sat Dec 16 02:17:30 GMT 2023

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EPA CompTox

DTXSID70176665

Created by admin on Sat Dec 16 02:17:30 GMT 2023 , Edited by admin on Sat Dec 16 02:17:30 GMT 2023

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CAS

221315-89-5

Created by admin on Sat Dec 16 02:17:30 GMT 2023 , Edited by admin on Sat Dec 16 02:17:30 GMT 2023

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FDA UNII

AIK47L977V

Created by admin on Sat Dec 16 02:17:30 GMT 2023 , Edited by admin on Sat Dec 16 02:17:30 GMT 2023

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