ISOSTEARYL BEHENAMIDOPROPYL BETAINATE CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C47H95N2O3.Cl
Molecular Weight	771.722
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOSTEARYL BEHENAMIDOPROPYL BETAINATE CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChIKey=YYENKHBZWMBASM-UHFFFAOYSA-N

InChI=1S/C47H94N2O3.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-33-36-40-46(50)48-41-38-42-49(4,5)44-47(51)52-43-37-34-31-28-25-22-19-20-23-26-29-32-35-39-45(2)3;/h45H,6-44H2,1-5H3;1H

HIDE SMILES / InChI

Molecular Formula	C47H95N2O3
Molecular Weight	736.2688
Charge	1
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
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 `Mon Mar 31 23:15:16 GMT 2025` Edited by `admin` on `Mon Mar 31 23:15:16 GMT 2025`
Record UNII	2B1FDT2BS4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOSTEARYL BEHENAMIDOPROPYL BETAINATE CHLORIDE

Preferred Name

English

Code System Code Type Description

CAS

185022-44-0

Created by admin on Mon Mar 31 23:15:16 GMT 2025 , Edited by admin on Mon Mar 31 23:15:16 GMT 2025

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FDA UNII

2B1FDT2BS4

Created by admin on Mon Mar 31 23:15:16 GMT 2025 , Edited by admin on Mon Mar 31 23:15:16 GMT 2025

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PUBCHEM

131635385

Created by admin on Mon Mar 31 23:15:16 GMT 2025 , Edited by admin on Mon Mar 31 23:15:16 GMT 2025

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EPA CompTox

DTXSID201021241

Created by admin on Mon Mar 31 23:15:16 GMT 2025 , Edited by admin on Mon Mar 31 23:15:16 GMT 2025

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