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Tafenoquine-d3 succinate

CAT: 0926-IVB37883-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-IVB37883-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1133378-83-2
Smiles
[2H]C ([2H]) ([2H]) Oc1cc (C) c2c (Oc3cccc (c3) C (F) (F) F) c (OC) cc (NC (C) CCCN) c2n1.OC (=O) CCC (=O) O
Molecular Formula
C24H25D3F3N3O3•C4H6O4
Molecular Weight
584.6 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Tafenoquine-d3 succinate
CAS Number1133378-83-2
PubChem CID154731824
IUPAC Namebutanedioic acid;4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
Molecular FormulaC28H34F3N3O7
Molecular Weight584.6
Topological Polar Surface Area153
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity690
SMILES
[2H]C([2H])([2H])OC1=NC2=C(C(=C1)C)C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C24H28F3N3O3.C4H6O4/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;5-3(6)1-2-4(7)8/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3;1-2H2,(H,5,6)(H,7,8)/i4D3;
InChIKey
CQBKFGJRAOXYIP-NXIGQQGZSA-N
Chemical Structure
2D Structure
2D structure of Tafenoquine-d3 succinate
CAS: 1133378-83-2
CID: 154731824
Formula: C28H34F3N3O7
MW: 584.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass584.25371516
Monoisotopic Mass584.25371516
Topological Polar Surface Area153 Ų
Heavy Atom Count41
Formal Charge0
Complexity690
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
330189Tafenoquine-d3 succinate
HY-111529A-01Tafenoquine (Succinate)
T13083L-01Tafenoquine Succinate
A18024-25Tafenoquine Succinate 25mg
A18024-1Tafenoquine Succinate 1mg
A18024-100Tafenoquine Succinate 100mg
HY-111529AR-01Tafenoquine (Succinate) (Standard)
A18024-50Tafenoquine Succinate 50mg
A18024-10Tafenoquine Succinate 10mg
CS-EO-02364Tafenoquine d3

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