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Tafenoquine 5mg

CAT: 0628-A12873-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12873-5Size:5 mg
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CAS Number
106635-80-7

Chemical Information

Tafenoquine

N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine is an aminoquinoline that is 8-aminoquinoline which is substituted by methoxy groups at positions 2 and 6, a methyl group at position 4, and a m-(trifluoromethyl)phenoxy group at position 5, and in which the amino substituent at position 8 is itself substituted by a 5-aminopentan-2-yl group. It is an aromatic ether, an aminoquinoline, a primary amino compound, a secondary amino compound and a member of (trifluoromethyl)benzenes.

CAS Number106635-80-7
PubChem CID115358
IUPAC Name4-N-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
Molecular FormulaC24H28F3N3O3
Molecular Weight463.5
XLogP5.4
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity597
SMILES
CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC
InChI
InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3
InChIKey
LBHLFPGPEGDCJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tafenoquine
CAS: 106635-80-7
CID: 115358
Formula: C24H28F3N3O3
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass463.20827625
Monoisotopic Mass463.20827625
Topological Polar Surface Area78.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity597
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

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