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Halofantrine, (-) -

CAT: 0931-T25485-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25485-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66051-76-1
Target
Others, Parasite
Related Pathways
Microbiology/Virology, Others
Bioactivity
Halofantrine, (-) - is an antimalarial agent.
Smiles
C(CCN(CCCC)CCCC)(O)C1=C2C(=C3C(=C1)C(Cl)=CC(Cl)=C3)C=C(C(F)(F)F)C=C2
Molecular Formula
C26H30Cl2F3NO
Molecular Weight
500.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Halofantrine

3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol is a member of phenanthrenes.

CAS Number66051-76-1
PubChem CID37393
IUPAC Name3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol
Molecular FormulaC26H30Cl2F3NO
Molecular Weight500.4
XLogP8.6
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity584
SMILES
CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
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
Chemical Structure
2D Structure
2D structure of Halofantrine
CAS: 66051-76-1
CID: 37393
Formula: C26H30Cl2F3NO
MW: 500.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.4
XLogP38.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass499.1656545
Monoisotopic Mass499.1656545
Topological Polar Surface Area23.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19199169-01Halofantrine, (-) -
HY-A0148B(-) -Halofantrine
MBS5806063Halofantrine
MBS5775212Halofantrine, (-)-
FH23729Halofantrine hydrochloride
HY-A0148A-01Halofantrine (hydrochloride)
279727-01Halofantrine HCl
HY-A0148ARHalofantrine (hydrochloride) (Standard)
RM-H121501-01Halofantrine Hydrochloride EP Impurity A
RM-H121502-01Halofantrine Hydrochloride EP Impurity B

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