DIMETHYL PABA ETHYL STEARYLDIMONIUM TOSYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H57N2O2.C7H7O3S
Molecular Weight	660.99
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIMETHYL PABA ETHYL STEARYLDIMONIUM TOSYLATE

Structure Search

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)C2=CC=C(C=C2)N(C)C

InChI

InChIKey=ORLGEXVQPRZMJW-UHFFFAOYSA-M

InChI=1S/C31H57N2O2.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(4,5)27-28-35-31(34)29-22-24-30(25-23-29)32(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h22-25H,6-21,26-28H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C7H7O3S
Molecular Weight	171.194
Charge	-1
Count

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

Molecular Formula	C31H57N2O2
Molecular Weight	489.7965
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 23:12:39 GMT 2025` Edited by `admin` on `Mon Mar 31 23:12:39 GMT 2025`
Record UNII	L239656CYQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIMETHYL PABA ETHYL STEARYLDIMONIUM TOSYLATE

Common Name

English

1-OCTADECANAMINIUM, N-(2-((4-(DIMETHYLAMINO)BENZOYL)OXY)ETHYL)-N,N-DIMETHYL-, 4-METHYLBENZENESULFONATE (1:1)

Preferred Name

English

Code System Code Type Description

FDA UNII

L239656CYQ

Created by admin on Mon Mar 31 23:12:39 GMT 2025 , Edited by admin on Mon Mar 31 23:12:39 GMT 2025

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CAS

101623-45-4

Created by admin on Mon Mar 31 23:12:39 GMT 2025 , Edited by admin on Mon Mar 31 23:12:39 GMT 2025

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PUBCHEM

91864472

Created by admin on Mon Mar 31 23:12:39 GMT 2025 , Edited by admin on Mon Mar 31 23:12:39 GMT 2025

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