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Details

Stereochemistry RACEMIC
Molecular Formula C21H27FN2O2
Molecular Weight 358.4497
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANISOPIROL

SMILES

COC1=CC=CC=C1N2CCN(CCCC(O)C3=CC=C(F)C=C3)CC2

InChI

InChIKey=LCZRXFYSMJIDQQ-UHFFFAOYSA-N
InChI=1S/C21H27FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11,20,25H,4,6,12-16H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H27FN2O2
Molecular Weight 358.4497
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Anisopirol is a neuroleptic and was used as antipsychotic drug. Anisopirol, the alcohol resulting from reduction of the carbonyl group of fluanisone, is an exception and is in fact about two times more potent than fluanisone itself. Anisopirol is poorly absorbed by the oral route. Dopamine receptor is known pharmacological target of anisopirol and NMDA receptor is predicted target.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.5 nM [Ki]
3.4 nM [Ki]
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:28:57 GMT 2023
Edited
by admin
on Fri Dec 15 15:28:57 GMT 2023
Record UNII
162A01WTAJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANISOPIROL
INN  
INN  
Official Name English
NSC-167758
Code English
(±)-.ALPHA.-(P-FLUOROPHENYL-4-(O-METHOXYPHENYL)-1-PIPERAZINEBUTANOL
Common Name English
HALOISOL
Brand Name English
anisopirol [INN]
Common Name English
R-2159
Code English
R 2159
Code English
Classification Tree Code System Code
NCI_THESAURUS C29710
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
Code System Code Type Description
NSC
167758
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
CAS
857-62-5
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
NCI_THESAURUS
C74174
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
SMS_ID
100000086929
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
ChEMBL
CHEMBL104515
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID20861938
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
FDA UNII
162A01WTAJ
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
PUBCHEM
13333
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
INN
1603
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
EVMPD
SUB05521MIG
Created by admin on Fri Dec 15 15:28:57 GMT 2023 , Edited by admin on Fri Dec 15 15:28:57 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY