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Details

Stereochemistry RACEMIC
Molecular Formula C26H53N2O2.Cl
Molecular Weight 461.164
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSTEARAMIDOPROPYL EPOXYPROPYL DIMONIUM CHLORIDE

SMILES

[Cl-].CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1CO1

InChI

InChIKey=RJIUYPCWTSGCKF-UHFFFAOYSA-N
InChI=1S/C26H52N2O2.ClH/c1-24(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-26(29)27-20-17-21-28(3,4)22-25-23-30-25;/h24-25H,5-23H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C26H53N2O2
Molecular Weight 425.7112
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 10:26:24 GMT 2023
Edited
by admin
on Sat Dec 16 10:26:24 GMT 2023
Record UNII
A54YHU35PP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSTEARAMIDOPROPYL EPOXYPROPYL DIMONIUM CHLORIDE
INCI  
INCI  
Official Name English
2-OXIRANEMETHANAMINIUM, N,N-DIMETHYL-N-(3-((16-METHYL-1-OXOHEPTADECYL)AMINO)PROPYL)-, CHLORIDE (1:1)
Systematic Name English
ISOSTEARAMIDOPROPYL EPOXYPROPYL DIMONIUM CHLORIDE [INCI]
Common Name English
(2,3-EPOXYPROPYL)DIMETHYL(3-((16-METHYLHEPTADECANOYL)AMINO)PROPYL)AMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
CAS
94349-35-6
Created by admin on Sat Dec 16 10:26:24 GMT 2023 , Edited by admin on Sat Dec 16 10:26:24 GMT 2023
MAJOR COMPONENT STRUCTURE/SEQUENCE
RXCUI
2380831
Created by admin on Sat Dec 16 10:26:24 GMT 2023 , Edited by admin on Sat Dec 16 10:26:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
305-152-4
Created by admin on Sat Dec 16 10:26:24 GMT 2023 , Edited by admin on Sat Dec 16 10:26:24 GMT 2023
PRIMARY
DAILYMED
A54YHU35PP
Created by admin on Sat Dec 16 10:26:24 GMT 2023 , Edited by admin on Sat Dec 16 10:26:24 GMT 2023
PRIMARY
PUBCHEM
3024333
Created by admin on Sat Dec 16 10:26:24 GMT 2023 , Edited by admin on Sat Dec 16 10:26:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID00915620
Created by admin on Sat Dec 16 10:26:24 GMT 2023 , Edited by admin on Sat Dec 16 10:26:24 GMT 2023
PRIMARY
FDA UNII
A54YHU35PP
Created by admin on Sat Dec 16 10:26:24 GMT 2023 , Edited by admin on Sat Dec 16 10:26:24 GMT 2023
PRIMARY