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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.[H][C@@]12COC3=C(C=C(O)C=C3)[C@@]1([H])CCCN2CCC

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
Modulation of in vivo dopamine release by D2 but not D1 receptor agonists and antagonists.
1987 Mar
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 Feb 14
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:53:08 GMT 2023
Edited
by admin
on Fri Dec 15 15:53:08 GMT 2023
Record UNII
REK7I52I58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMOLPAN HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
Isomolpan hydrochloride [WHO-DD]
Common Name English
CGS 15855A
Code 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 Fri Dec 15 15:53:08 GMT 2023 , Edited by admin on Fri Dec 15 15:53:08 GMT 2023
PRIMARY
USAN
BB-75
Created by admin on Fri Dec 15 15:53:08 GMT 2023 , Edited by admin on Fri Dec 15 15:53:08 GMT 2023
PRIMARY
CAS
121096-86-4
Created by admin on Fri Dec 15 15:53:08 GMT 2023 , Edited by admin on Fri Dec 15 15:53:08 GMT 2023
SUPERSEDED
CAS
100745-12-8
Created by admin on Fri Dec 15 15:53:08 GMT 2023 , Edited by admin on Fri Dec 15 15:53:08 GMT 2023
PRIMARY
FDA UNII
REK7I52I58
Created by admin on Fri Dec 15 15:53:08 GMT 2023 , Edited by admin on Fri Dec 15 15:53:08 GMT 2023
PRIMARY
PUBCHEM
14450365
Created by admin on Fri Dec 15 15:53:08 GMT 2023 , Edited by admin on Fri Dec 15 15:53:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID10923670
Created by admin on Fri Dec 15 15:53:08 GMT 2023 , Edited by admin on Fri Dec 15 15:53:08 GMT 2023
PRIMARY
NCI_THESAURUS
C170081
Created by admin on Fri Dec 15 15:53:08 GMT 2023 , Edited by admin on Fri Dec 15 15:53:08 GMT 2023
PRIMARY
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ACTIVE MOIETY