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

Details

Stereochemistry ACHIRAL
Molecular Formula C40H83NO3S
Molecular Weight 658.157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-DISTEARYL-N-METHYL-3-SULFOPROPYLAMMONIUM

SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCS([O-])(=O)=O

InChI

InChIKey=JBYHUWANONCSAQ-UHFFFAOYSA-N
InChI=1S/C40H83NO3S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41(3,39-36-40-45(42,43)44)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-40H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
N,N-DISTEARYL-N-METHYL-3-SULFOPROPYLAMMONIUM
Systematic Name English
1-OCTADECANAMINIUM, N-METHYL-N-OCTADECYL-N-(3-SULFOPROPYL)-, INNER SALT
Systematic Name English
N-METHYL-N-OCTADECYL-N-(3-SULFOPROPYL)-1-OCTADECANAMINIUM
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00196472
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
CAS
45319-57-1
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-231-4
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
FDA UNII
3CF81UOO4D
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
PUBCHEM
131634767
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966