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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
MOL RATIO 2 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
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

Substance Class Chemical
Record UNII
7WH972M21R
Record Status Validated (UNII)
Record Version