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Details

Stereochemistry ACHIRAL
Molecular Formula C34H46N2
Molecular Weight 482.7424
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of HEDAQUINIUM

SMILES

C(CCCCCCCC[N+]1=CC=C2C=CC=CC2=C1)CCCCCCC[N+]3=CC=C4C=CC=CC4=C3

InChI

InChIKey=BKNJRWQHBQLPAQ-UHFFFAOYSA-N
InChI=1S/C34H46N2/c1(3-5-7-9-11-17-25-35-27-23-31-19-13-15-21-33(31)29-35)2-4-6-8-10-12-18-26-36-28-24-32-20-14-16-22-34(32)30-36/h13-16,19-24,27-30H,1-12,17-18,25-26H2/q+2

HIDE SMILES / InChI

Molecular Formula C34H46N2
Molecular Weight 482.7424
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Hedaquinium was studied as an antibacterial agent.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:15:35 GMT 2023
Edited
by admin
on Sat Dec 16 08:15:35 GMT 2023
Record UNII
58VJ03097A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEDAQUINIUM
Common Name English
HEDAQUINIUM CATION
Common Name English
HEDAQUINIUM ION
Common Name English
ISOQUINOLINIUM, 2,2'-(1,16-HEXADECANEDIYL)BIS-
Systematic Name English
Code System Code Type Description
CAS
687601-03-2
Created by admin on Sat Dec 16 08:15:35 GMT 2023 , Edited by admin on Sat Dec 16 08:15:35 GMT 2023
PRIMARY
FDA UNII
58VJ03097A
Created by admin on Sat Dec 16 08:15:35 GMT 2023 , Edited by admin on Sat Dec 16 08:15:35 GMT 2023
PRIMARY
PUBCHEM
20305
Created by admin on Sat Dec 16 08:15:35 GMT 2023 , Edited by admin on Sat Dec 16 08:15:35 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY