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Details

Stereochemistry RACEMIC
Molecular Formula C17H23FN2O.2ClH
Molecular Weight 363.298
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZABUPERONE HYDROCHLORIDE

SMILES

Cl.Cl.FC1=CC=C(C=C1)C(=O)CCCN2CCN3CCCC3C2

InChI

InChIKey=HXBNUKBXKYCOQW-UHFFFAOYSA-N
InChI=1S/C17H23FN2O.2ClH/c18-15-7-5-14(6-8-15)17(21)4-2-9-19-11-12-20-10-1-3-16(20)13-19;;/h5-8,16H,1-4,9-13H2;2*1H

HIDE SMILES / InChI
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
Molecular Formula C17H23FN2O
Molecular Weight 290.3757
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Azabyperone was developed as tranquilizer and neuroleptic and has never been marketed.

Approval Year

Unknown
149124
Patents

Patents

20100226943
186
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:33:17 GMT 2025
Edited
by admin
on Mon Mar 31 22:33:17 GMT 2025
Record UNII
7WH972M21R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZABUPERONE HYDROCHLORIDE
Common Name English
1-BUTANONE, 1-(4-FLUOROPHENYL)-4-(HEXAHYDROPYRROLO(1,2-A)PYRAZIN-2(1H)-YL)-, HYDROCHLORIDE (1:2)
Preferred Name English
Code System Code Type Description
PUBCHEM
18483
Created by admin on Mon Mar 31 22:33:17 GMT 2025 , Edited by admin on Mon Mar 31 22:33:17 GMT 2025
PRIMARY
CAS
3162-75-2
Created by admin on Mon Mar 31 22:33:17 GMT 2025 , Edited by admin on Mon Mar 31 22:33:17 GMT 2025
PRIMARY
FDA UNII
7WH972M21R
Created by admin on Mon Mar 31 22:33:17 GMT 2025 , Edited by admin on Mon Mar 31 22:33:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID60953583
Created by admin on Mon Mar 31 22:33:17 GMT 2025 , Edited by admin on Mon Mar 31 22:33:17 GMT 2025
PRIMARY
Related Record Type Details
Structure of AZABUPERONE HYDROCHLORIDE, (R)-
ENANTIOMER -> RACEMATE
Structure of AZABUPERONE HYDROCHLORIDE, (S)-
ENANTIOMER -> RACEMATE
Related Record Type Details
Structure of AZABUPERONE
ACTIVE MOIETY
NIH
NCATS
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