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Details

Stereochemistry RACEMIC
Molecular Formula C15H21NO2.ClH
Molecular Weight 283.794
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMOLPAN HYDROCHLORIDE

SMILES

Cl.CCCN1CCC[C@H]2[C@H]1COC3=CC=C(O)C=C23

InChI

InChIKey=JFSZKRWNAVLJHH-QMDUSEKHSA-N
InChI=1S/C15H21NO2.ClH/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16;/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3;1H/t12-,14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C15H21NO2
Molecular Weight 247.3327
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

ISOMOLPAN is a selective D3/D2 receptor agonist.

CNS Activity

Curator's Comment: Known to be CNS active in rat. Human data not available.

Approval Year

PubMed

PubMed

TitleDatePubMed
Discriminative stimulus properties of the dopamine D3 receptor agonists, PD128,907 and 7-OH-DPAT: a comparative characterization with novel ligands at D3 versus D2 receptors.
2000-02-14
Simultaneous quantification of serotonin, dopamine and noradrenaline levels in single frontal cortex dialysates of freely-moving rats reveals a complex pattern of reciprocal auto- and heteroreceptor-mediated control of release.
1998-05
Functional correlates of dopamine D3 receptor activation in the rat in vivo and their modulation by the selective antagonist, (+)-S 14297: II. Both D2 and "silent" D3 autoreceptors control synthesis and release in mesolimbic, mesocortical and nigrostriatal pathways.
1995-11
Modulation of in vivo dopamine release by D2 but not D1 receptor agonists and antagonists.
1987-03
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:12:03 GMT 2025
Edited
by admin
on Mon Mar 31 18:12:03 GMT 2025
Record UNII
REK7I52I58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMOLPAN HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
CGS-15855A
Preferred Name English
Isomolpan hydrochloride [WHO-DD]
Common Name English
CGS 15855A
Code English
(±)-TRANS-1,3,4,4A,5,10B-HEXAHYDRO-4-PROPYL-2H-(1)BENZOPYRANO(3,4-B)PYRIDIN-9-OL HYDROCHLORIDE
Common Name English
ISOMOLPAN HYDROCHLORIDE [USAN]
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL2220428
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
PRIMARY
USAN
BB-75
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
PRIMARY
CAS
121096-86-4
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
SUPERSEDED
CAS
100745-12-8
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
PRIMARY
SMS_ID
300000055181
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
PRIMARY
FDA UNII
REK7I52I58
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
PRIMARY
PUBCHEM
14450365
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID10923670
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
PRIMARY
NCI_THESAURUS
C170081
Created by admin on Mon Mar 31 18:12:03 GMT 2025 , Edited by admin on Mon Mar 31 18:12:03 GMT 2025
PRIMARY
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