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

Details

Stereochemistry RACEMIC
Molecular Formula C24H51N2O2.Cl
Molecular Weight 435.127
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYSTEARAMIDOPROPYL TRIMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCC(O)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C

InChI

InChIKey=LRLDLJIJMNTHNO-UHFFFAOYSA-N
InChI=1S/C24H50N2O2.ClH/c1-5-6-7-14-18-23(27)19-15-12-10-8-9-11-13-16-20-24(28)25-21-17-22-26(2,3)4;/h23,27H,5-22H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C24H50N2O2
Molecular Weight 398.666
Charge 0
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 20:17:08 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:08 GMT 2023
Record UNII
B67EBH0093
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYSTEARAMIDOPROPYL TRIMONIUM CHLORIDE
INCI  
INCI  
Official Name English
3-((12-HYDROXY-1-OXOOCTADECYL)AMINO)-N,N,N-TRIMETHYL-1-PROPANAMINIUM CHLORIDE
Systematic Name English
HYDROXYSTEARAMIDOPROPYL TRIMONIUM CHLORIDE [INCI]
Common Name English
1-PROPANAMINIUM, 3-((12-HYDROXY-1-OXOOCTADECYL)AMINO)-N,N,N-TRIMETHYL-, CHLORIDE (1:1)
Systematic Name English
1-PROPANAMINIUM, 3-((12-HYDROXY-1-OXOOCTADECYL)AMINO)-N,N,N-TRIMETHYL-, CHLORIDE
Systematic Name English
(±)-HYDROXYSTEARAMIDOPROPYL TRIMONIUM CHLORIDE
Common Name English
HYDROXYSTEARAMIDOPROPYL TRIMONIUM CHLORIDE, (±)-
Common Name English
Code System Code Type Description
CAS
127312-01-0
Created by admin on Sat Dec 16 20:17:08 GMT 2023 , Edited by admin on Sat Dec 16 20:17:08 GMT 2023
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FDA UNII
B67EBH0093
Created by admin on Sat Dec 16 20:17:08 GMT 2023 , Edited by admin on Sat Dec 16 20:17:08 GMT 2023
PRIMARY
PUBCHEM
71587468
Created by admin on Sat Dec 16 20:17:08 GMT 2023 , Edited by admin on Sat Dec 16 20:17:08 GMT 2023
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EPA CompTox
DTXSID00925860
Created by admin on Sat Dec 16 20:17:08 GMT 2023 , Edited by admin on Sat Dec 16 20:17:08 GMT 2023
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