3-OLEOYLAMINOPROPYLTRIMETHYLAMMONIUM METHYLSULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H49N2O.CH3O4S
Molecular Weight	492.756
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-OLEOYLAMINOPROPYLTRIMETHYLAMMONIUM METHYLSULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)C

InChI

InChIKey=UENGIFWPRSJISU-USGGBSEESA-N

InChI=1S/C24H48N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-6(2,3)4/h12-13H,5-11,14-23H2,1-4H3;1H3,(H,2,3,4)/b13-12-;

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	C24H49N2O
Molecular Weight	381.6587
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:32:41 GMT 2023` Edited by `admin` on `Sat Dec 16 11:32:41 GMT 2023`
Record UNII	R779YG27TU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-OLEOYLAMINOPROPYLTRIMETHYLAMMONIUM METHYLSULFATE

Systematic Name

English

METHYL SULFATE,TRIMETHYL-(3-(((Z)-OCTADEC-9-ENOYL)AMINO)PROPYL)AZANIUM

Systematic Name

English

OLEAMIDOPROPYLTRIMETHYLAMMONIUM METHYL SULFATE

Systematic Name

English

1-PROPANAMINIUM, N,N,N-TRIMETHYL-3-(((9Z)-1-OXO-9-OCTADECEN-1-YL)AMINO)-, METHYL SULFATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

R779YG27TU

Created by admin on Sat Dec 16 11:32:41 GMT 2023 , Edited by admin on Sat Dec 16 11:32:41 GMT 2023

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CAS

60585-57-1

Created by admin on Sat Dec 16 11:32:41 GMT 2023 , Edited by admin on Sat Dec 16 11:32:41 GMT 2023

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PUBCHEM

6437412

Created by admin on Sat Dec 16 11:32:41 GMT 2023 , Edited by admin on Sat Dec 16 11:32:41 GMT 2023

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EPA CompTox

DTXSID0069410

Created by admin on Sat Dec 16 11:32:41 GMT 2023 , Edited by admin on Sat Dec 16 11:32:41 GMT 2023

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