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Details

Stereochemistry ACHIRAL
Molecular Formula C29H44NO2.Cl
Molecular Weight 474.118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAURALKONIUM CHLORIDE

SMILES

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

InChI

InChIKey=IBNQLYMPUGQNLN-UHFFFAOYSA-M
InChI=1S/C29H44NO2.ClH/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;1H/q+1;/p-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

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

PubMed

PubMed

TitleDatePubMed
Ion-pair in-tube solid-phase microextraction and capillary liquid chromatography using a titania-based column: application to the specific lauralkonium chloride determination in water.
2012 Jul 27
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:59:30 UTC 2023
Edited
by admin
on Sat Dec 16 19:59:30 UTC 2023
Record UNII
07HUP5A29X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAURALKONIUM CHLORIDE
II   INCI   INN  
INN   INCI  
Official Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(4-(1-OXODODECYL)PHENOXY)ETHYL)-, CHLORIDE (1:1)
Systematic Name English
AMMONIUM, BENZYL(2-(P-LAUROYLPHENOXY)ETHYL)DIMETHYL-, CHLORIDE
Common Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(4-(1-OXODODECYL)PHENOXY)ETHYL)-, CHLORIDE
Systematic Name English
PYRGASOL
Common Name English
LAURALKONIUM CHLORIDE [INCI]
Common Name English
BENZYL(2-(P-(LAUROYL)PHENOXY)ETHYL)DIMETHYLAMMONIUM CHLORIDE
Common Name English
LAURALKONIUM CHLORIDE [II]
Common Name English
FORTASEPT
Common Name English
lauralkonium chloride [INN]
Common Name English
Code System Code Type Description
DAILYMED
07HUP5A29X
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
EVMPD
SUB08411MIG
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
CAS
19486-61-4
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
INN
569
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110672
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
SMS_ID
100000082579
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID50904862
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
RXCUI
2533922
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
NCI_THESAURUS
C175103
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
FDA UNII
07HUP5A29X
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
PUBCHEM
3038487
Created by admin on Sat Dec 16 19:59:30 UTC 2023 , Edited by admin on Sat Dec 16 19:59:30 UTC 2023
PRIMARY
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