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

Details

Stereochemistry ACHIRAL
Molecular Formula C29H44NO2
Molecular Weight 438.6652
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of LAURALKONIUM

SMILES

CCCCCCCCCCCC(=O)C1=CC=C(OCC[N+](C)(C)CC2=CC=CC=C2)C=C1

InChI

InChIKey=PONRVFMQIXWVLG-UHFFFAOYSA-N
InChI=1S/C29H44NO2/c1-4-5-6-7-8-9-10-11-15-18-29(31)27-19-21-28(22-20-27)32-24-23-30(2,3)25-26-16-13-12-14-17-26/h12-14,16-17,19-22H,4-11,15,18,23-25H2,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula C29H44NO2
Molecular Weight 438.6652
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:08 GMT 2023
Record UNII
8X1F3A6Q1V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAURALKONIUM
Common Name English
LAURALKONIUM ION
Common Name English
AMMONIUM, BENZYL(2-(P-LAUROYLPHENOXYL)ETHYL)DIMETHYL-
Common Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(4-(1-OXODODECYL)PHENOXY)ETHYL)-
Systematic Name English
LAURALKONIUM CATION
Common Name English
Code System Code Type Description
PUBCHEM
3038488
Created by admin on Sat Dec 16 08:06:08 GMT 2023 , Edited by admin on Sat Dec 16 08:06:08 GMT 2023
PRIMARY
RXCUI
2533923
Created by admin on Sat Dec 16 08:06:08 GMT 2023 , Edited by admin on Sat Dec 16 08:06:08 GMT 2023
PRIMARY
FDA UNII
8X1F3A6Q1V
Created by admin on Sat Dec 16 08:06:08 GMT 2023 , Edited by admin on Sat Dec 16 08:06:08 GMT 2023
PRIMARY
CAS
23724-97-2
Created by admin on Sat Dec 16 08:06:08 GMT 2023 , Edited by admin on Sat Dec 16 08:06:08 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY