U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C46H92N3O3.Cl
Molecular Weight 770.694
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIISOSTEARAMIDOPROPYL EPOXYPROPYLMONIUM CHLORIDE

SMILES

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

InChI

InChIKey=SMPFWQNBMMXYPP-UHFFFAOYSA-N
InChI=1S/C46H91N3O3.ClH/c1-42(2)32-26-22-18-14-10-6-8-12-16-20-24-28-34-45(50)47-36-30-38-49(5,40-44-41-52-44)39-31-37-48-46(51)35-29-25-21-17-13-9-7-11-15-19-23-27-33-43(3)4;/h42-44H,6-41H2,1-5H3,(H-,47,48,50,51);1H

HIDE SMILES / InChI

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

Molecular Formula C46H92N3O3
Molecular Weight 735.241
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:10:44 GMT 2025
Edited
by admin
on Mon Mar 31 23:10:44 GMT 2025
Record UNII
TJ8OWP54LN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIISOSTEARAMIDOPROPYL EPOXYPROPYLMONIUM CHLORIDE
INCI  
INCI  
Official Name English
OXIRANEMETHANAMINIUM, N-METHYL-N,N-BIS(3-((1-OXOISOOCTADECYL)AMINO)PROPYL)-, CHLORIDE
Preferred Name English
Code System Code Type Description
PUBCHEM
91864492
Created by admin on Mon Mar 31 23:10:44 GMT 2025 , Edited by admin on Mon Mar 31 23:10:44 GMT 2025
PRIMARY
CAS
220637-45-6
Created by admin on Mon Mar 31 23:10:44 GMT 2025 , Edited by admin on Mon Mar 31 23:10:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID501021769
Created by admin on Mon Mar 31 23:10:44 GMT 2025 , Edited by admin on Mon Mar 31 23:10:44 GMT 2025
PRIMARY
FDA UNII
TJ8OWP54LN
Created by admin on Mon Mar 31 23:10:44 GMT 2025 , Edited by admin on Mon Mar 31 23:10:44 GMT 2025
PRIMARY