BEHENAMIDOPROPYLTRIMONIUM METHOSULFATE

Possibly Marketed Outside US

First approved in 2013

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H59N2O.CH3O4S
Molecular Weight	550.878
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BEHENAMIDOPROPYLTRIMONIUM METHOSULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C

InChI

InChIKey=DIJXCGXVGCADCI-UHFFFAOYSA-N

InChI=1S/C28H58N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(31)29-26-24-27-30(2,3)4;1-5-6(2,3)4/h5-27H2,1-4H3;1H3,(H,2,3,4)

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	C28H59N2O
Molecular Weight	439.7809
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:01:31 GMT 2025` Edited by `admin` on `Mon Mar 31 21:01:31 GMT 2025`
Record UNII	7MY9WEU70B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEHENAMIDOPROPYLTRIMONIUM METHOSULFATE

Official Name

English

1-PROPANAMINIUM, N,N,N-TRIMETHYL-3-((1-OXODOCOSYL)AMINO)-, METHYL SULFATE

Preferred Name

English

PROPANAMINIUM, 3-DOCOSAMIDO-N,N,N-TRIMETHYL-, METHYL SYLFATE

Common Name

English

(3-DOCOSANAMIDOPROPYL)TRIMETHYLAMMONIUM METHYL SULFATE

Systematic Name

English

1-PROPANAMINIUM, N,N,N-TRIMETHYL-3-((1-OXODOCOSYL)AMINO)-, METHYL SULFATE (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50153333