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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21F3N4O.ClH
Molecular Weight 426.863
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLIBANSERIN HYDROCHLORIDE

SMILES

Cl.FC(F)(F)C1=CC=CC(=C1)N2CCN(CCN3C(=O)NC4=C3C=CC=C4)CC2

InChI

InChIKey=XGAGFLQFMFCIHZ-UHFFFAOYSA-N
InChI=1S/C20H21F3N4O.ClH/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28;/h1-7,14H,8-13H2,(H,24,28);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H21F3N4O
Molecular Weight 390.4021
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
96XTC36K1B
Record Status Validated (UNII)
Record Version