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Details

Stereochemistry ACHIRAL
Molecular Formula C26H48NO3.I
Molecular Weight 549.5687
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ammonium, dimethyloctadecyl(5-hydroxy-4-oxo-2-pyranylmethyl)-, iodide

SMILES

[I-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC(=O)C(O)=CO1

InChI

InChIKey=FXTFXXHAXFOISH-UHFFFAOYSA-N
InChI=1S/C26H47NO3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(2,3)22-24-21-25(28)26(29)23-30-24;/h21,23H,4-20,22H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.91241
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H47NO3
Molecular Weight 421.6563
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:44:30 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:30 GMT 2025
Record UNII
TJ5T7M3CYG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-221259
Preferred Name English
Ammonium, dimethyloctadecyl(5-hydroxy-4-oxo-2-pyranylmethyl)-, iodide
Systematic Name English
4H-Pyran-2-methanaminium, 5-hydroxy-N,N-dimethyl-N-octadecyl-4-oxo-, iodide (1:1)
Systematic Name English
4H-Pyran-2-methanaminium, 5-hydroxy-N,N-dimethyl-N-octadecyl-4-oxo-, iodide
Systematic Name English
Dimethyloctadecylkojylammonium iodide
Common Name English
Code System Code Type Description
NSC
221259
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
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EPA CompTox
DTXSID20994472
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
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CAS
73664-11-6
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
PRIMARY
FDA UNII
TJ5T7M3CYG
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
PRIMARY
PUBCHEM
52027
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
PRIMARY