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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22N2O4S
Molecular Weight 410.488
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-QUINOLINYL-4-METHYL-3-(1-PIPERIDINYLSULFONYL)BENZOATE

SMILES

Cc1ccc(cc1S(=O)(=O)N2CCCCC2)C(=O)Oc3cccc4cccnc43

InChI

InChIKey=WORIMYADZQJWOU-UHFFFAOYSA-N
InChI=1S/C22H22N2O4S/c1-16-10-11-18(15-20(16)29(26,27)24-13-3-2-4-14-24)22(25)28-19-9-5-7-17-8-6-12-23-21(17)19/h5-12,15H,2-4,13-14H2,1H3

HIDE SMILES / InChI

Molecular Formula C22H22N2O4S
Molecular Weight 410.488
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 Jun 26 00:43:52 UTC 2021
Edited
by admin
on Sat Jun 26 00:43:52 UTC 2021
Record UNII
55Q8B94HS5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-QUINOLINYL-4-METHYL-3-(1-PIPERIDINYLSULFONYL)BENZOATE
Systematic Name English
QMPSD
Common Name English
BENZOIC ACID, 4-METHYL-3-(1-PIPERIDINYLSULFONYL)-, 8-QUINOLINYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
3929482
Created by admin on Sat Jun 26 00:43:52 UTC 2021 , Edited by admin on Sat Jun 26 00:43:52 UTC 2021
PRIMARY
WIKIPEDIA
QMPSB
Created by admin on Sat Jun 26 00:43:52 UTC 2021 , Edited by admin on Sat Jun 26 00:43:52 UTC 2021
PRIMARY QMPSB is an arylsulfonamide-based synthetic cannabinoid that has been sold as a designer drug. QMPSB was first discovered by Lambeng and colleagues in 2007. It acts as a full agonist of the CB1 receptor and CB2 receptor with Ki values of 3 nM and 4 nM, respectively. A large number of related derivatives were subsequently produced, with the main focus of this work being to increase selectivity for the non-psychoactive CB2 receptor. This work led on from an earlier series of sulfamoyl benzamide derivatives for which a patent was filed in 2004. The quinolin-8-yl ester motif of QMPSB led to the discovery of other designer cannabinoids such as PB-22 and BB-22.
CAS
312606-87-4
Created by admin on Sat Jun 26 00:43:52 UTC 2021 , Edited by admin on Sat Jun 26 00:43:52 UTC 2021
PRIMARY
MANUFACTURER PRODUCT INFORMATION
QMPSB
Created by admin on Sat Jun 26 00:43:52 UTC 2021 , Edited by admin on Sat Jun 26 00:43:52 UTC 2021
PRIMARY The identification and structural elucidation of the novel synthetic cannabimimetic 8-quinolinyl 4-methyl-3-(1-piperidinylsulfonyl)benzoate (QMPSB) by GC-MS, LC-MS and NMR is reported. QMPSB was identified in Queensland, Australia on plant material packaged as herbal incense. The identification of QMPSB was initially hampered due to trans-esterification occurring in the extraction solvent. An investigation of the trans-esterification of QMPSB in methanol and ethanol was conducted and analytical data for the respective methyl and ethyl esters are reported.
FDA UNII
55Q8B94HS5
Created by admin on Sat Jun 26 00:43:52 UTC 2021 , Edited by admin on Sat Jun 26 00:43:52 UTC 2021
PRIMARY
Related Record Type Details
ACTIVE MOIETY