N-(2-(BIS(2-HYDROXYPROPYL)AMINO)ETHYL)-N-METHYL-2-(OLEOYLOXY)-N-(2-(OLEOYLOXY)PROPYL)PROPAN-1-AMINIUM METHYL SULFATE

Details

Stereochemistry	MIXED
Molecular Formula	C51H99N2O6.CH3O4S
Molecular Weight	947.439
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of N-(2-(BIS(2-HYDROXYPROPYL)AMINO)ETHYL)-N-METHYL-2-(OLEOYLOXY)-N-(2-(OLEOYLOXY)PROPYL)PROPAN-1-AMINIUM METHYL SULFATE

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C[N+](C)(CCN(CC(C)O)CC(C)O)CC(C)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=OCEDRGNJJOAQNM-PBAYCENZSA-M

InChI=1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)44-53(7,41-40-52(42-46(3)54)43-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h22-25,46-49,54-55H,8-21,26-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b24-22-,25-23-;

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	C51H99N2O6
Molecular Weight	836.3416
Charge	1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:57:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:57:18 GMT 2025`
Record UNII	7146O3XYHL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(2-(BIS(2-HYDROXYPROPYL)AMINO)ETHYL)-N-METHYL-2-(OLEOYLOXY)-N-(2-(OLEOYLOXY)PROPYL)PROPAN-1-AMINIUM METHYL SULFATE

Preferred Name

English

Code System Code Type Description

FDA UNII

7146O3XYHL

Created by admin on Mon Mar 31 22:57:18 GMT 2025 , Edited by admin on Mon Mar 31 22:57:18 GMT 2025

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PUBCHEM

139032889

Created by admin on Mon Mar 31 22:57:18 GMT 2025 , Edited by admin on Mon Mar 31 22:57:18 GMT 2025

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