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Details

Stereochemistry ACHIRAL
Molecular Formula C29H59N2O2.Cl
Molecular Weight 503.244
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYETHYL ERUCAMIDOPROPYL DIMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO

InChI

InChIKey=NSHFMBILLDRYPF-AFEZEDKISA-N
InChI=1S/C29H58N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(33)30-25-23-26-31(2,3)27-28-32;/h11-12,32H,4-10,13-28H2,1-3H3;1H/b12-11-;

HIDE SMILES / InChI

Molecular Formula C29H58N2O2
Molecular Weight 466.783
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
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 Sat Dec 16 10:37:05 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:05 GMT 2023
Record UNII
3XAS6015O2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYETHYL ERUCAMIDOPROPYL DIMONIUM CHLORIDE
INCI  
INCI  
Official Name English
1-PROPANAMINIUM, N-(2-HYDROXYETHYL)-N,N-DIMETHYL-3-(((13Z)-1-OXO-13-DOCOSEN-1-YL)AMINO)-, CHLORIDE (1:1)
Systematic Name English
HYDROXYETHYL ERUCAMIDOPROPYL DIMONIUM CHLORIDE [INCI]
Common Name English
INCROQUAT ERUCYL HE
Brand Name English
EA 22
Code English
Code System Code Type Description
PUBCHEM
91936902
Created by admin on Sat Dec 16 10:37:05 GMT 2023 , Edited by admin on Sat Dec 16 10:37:05 GMT 2023
PRIMARY
CAS
581089-19-2
Created by admin on Sat Dec 16 10:37:05 GMT 2023 , Edited by admin on Sat Dec 16 10:37:05 GMT 2023
PRIMARY
FDA UNII
3XAS6015O2
Created by admin on Sat Dec 16 10:37:05 GMT 2023 , Edited by admin on Sat Dec 16 10:37:05 GMT 2023
PRIMARY