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Flibanserin
SpectraBase Compound ID D61iFVsKXTx
InChI InChI=1S/C20H21F3N4O/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)
InChIKey PPRRDFIXUUSXRA-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C20H21F3N4O
Exact Mass 390.166746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2m4IrdQfYyu
Name Flibanserin
CAS Registry Number 167933-07-5
Classification Pharmaceutical drug, hypoactive sexual desire disorder (HSDD)
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 390.166745800 u
Formula C20H21F3N4O
InChI InChI=1S/C20H21F3N4O/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)
InChIKey PPRRDFIXUUSXRA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 390.410 g/mol
Nominal Mass 390 u
Quality 992
Retention Index 3096
SMILES C12=C(NC(N2CCN2CCN(C=3C=C(C(F)(F)F)C=CC3)CC2)=O)C=CC=C1
SPLASH splash10-006x-3690000000-97afa932a5b76ce4e6bf
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Addyi BIMT-17 1-(2-(4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl)ethyl)-1,3-dihydro-2H-benzimidazol-2-one
Technique GC/MS
Wiley ID DD2024_018894