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Details

Stereochemistry ACHIRAL
Molecular Formula C23H49N2O.C2H5O4S
Molecular Weight 494.772
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PALMAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE

SMILES

CCOS([O-])(=O)=O.CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC

InChI

InChIKey=YKFCMAQGLLCGBO-UHFFFAOYSA-N
InChI=1S/C23H48N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(3,4)6-2;1-2-6-7(3,4)5/h5-22H2,1-4H3;2H2,1H3,(H,3,4,5)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-((1-OXOHEXADECYL)AMINO)-, ETHYL SULFATE
Preferred Name English
PALMAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE
Common Name English
SULFURIC ACID, MONOETHYL ESTER, ION(1-), N-ETHYL-N,N-DIMETHYL-3-((1-OXOHEXADECYL)AMINO)-1-PROPANAMINIUM
Common Name English
1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-((1-OXOHEXADECYL)AMINO)-, ETHYL SULFATE (1:1)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60220449
Created by admin on Mon Mar 31 20:34:20 GMT 2025 , Edited by admin on Mon Mar 31 20:34:20 GMT 2025
PRIMARY
PUBCHEM
71587247
Created by admin on Mon Mar 31 20:34:20 GMT 2025 , Edited by admin on Mon Mar 31 20:34:20 GMT 2025
PRIMARY
CAS
70170-68-2
Created by admin on Mon Mar 31 20:34:20 GMT 2025 , Edited by admin on Mon Mar 31 20:34:20 GMT 2025
PRIMARY
FDA UNII
U3Y9W1AL62
Created by admin on Mon Mar 31 20:34:20 GMT 2025 , Edited by admin on Mon Mar 31 20:34:20 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of ETHYL SULFATE
NIH
NCATS
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