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Halofantrine
SpectraBase Compound ID GPi92slc2oA
InChI InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3
InChIKey FOHHNHSLJDZUGQ-UHFFFAOYSA-N
Mol Weight 500.43 g/mol
Molecular Formula C26H30Cl2F3NO
Exact Mass 499.165654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjtkWeJFq1w
Name Halofantrine
CAS Registry Number 69756-53-2
Classification Pharmaceutical drug, antimalarial
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 499.165654478 u
Formula C26H30Cl2F3NO
InChI InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3
InChIKey FOHHNHSLJDZUGQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 500.433 g/mol
Nominal Mass 499 u
Quality 978
Retention Index 3231
SMILES OC(C1=C2C(=C3C(=C1)C(=CC(=C3)Cl)Cl)C=C(C(F)(F)F)C=C2)CCN(CCCC)CCCC
SPLASH splash10-0006-3920100000-14cbc11e637bf756ec4b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol
Technique GC/MS
Wiley ID DD2024_001582