DIMETHYL PABA ETHYL CETYLDIMONIUM TOSYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H53N2O2.C7H7O3S
Molecular Weight	632.937
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIMETHYL PABA ETHYL CETYLDIMONIUM TOSYLATE

Structure Search

SMILES

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

InChI

InChIKey=XPBPCLLCXDTQFJ-UHFFFAOYSA-M

InChI=1S/C29H53N2O2.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31(4,5)25-26-33-29(32)27-20-22-28(23-21-27)30(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h20-23H,6-19,24-26H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C29H53N2O2
Molecular Weight	461.7433
Charge	1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:22:16 GMT 2023` Edited by `admin` on `Sat Dec 16 10:22:16 GMT 2023`
Record UNII	05DOV6F5RI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIMETHYL PABA ETHYL CETYLDIMONIUM TOSYLATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

91864470

Created by admin on Sat Dec 16 10:22:16 GMT 2023 , Edited by admin on Sat Dec 16 10:22:16 GMT 2023

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CAS

101623-43-2

Created by admin on Sat Dec 16 10:22:16 GMT 2023 , Edited by admin on Sat Dec 16 10:22:16 GMT 2023

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FDA UNII

05DOV6F5RI

Created by admin on Sat Dec 16 10:22:16 GMT 2023 , Edited by admin on Sat Dec 16 10:22:16 GMT 2023

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