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Naphthoquine phosphate

CAT: 1410-M12634-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12634-02Size:5 mg
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Description
An antimalarial drug.
CAS Number
173531-58-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
605.942
Molecular Formula
C24H34ClN3O9P2
Notes
Research use only, not for human use.
Receptor
Parasite

Chemical Information

Naphthoquine phosphate
CAS Number173531-58-3
PubChem CID9851774
IUPAC Name2-[(tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;phosphoric acid
Molecular FormulaC24H34ClN3O9P2
Molecular Weight605.9
Topological Polar Surface Area213
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity588
SMILES
CC(C)(C)NCC1=CC(=C2CCCCC2=C1O)NC3=C4C=CC(=CC4=NC=C3)Cl.OP(=O)(O)O.OP(=O)(O)O
InChI
InChI=1S/C24H28ClN3O.2H3O4P/c1-24(2,3)27-14-15-12-22(17-6-4-5-7-18(17)23(15)29)28-20-10-11-26-21-13-16(25)8-9-19(20)21;2*1-5(2,3)4/h8-13,27,29H,4-7,14H2,1-3H3,(H,26,28);2*(H3,1,2,3,4)
InChIKey
QTYPWHKJEDCDNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naphthoquine phosphate
CAS: 173531-58-3
CID: 9851774
Formula: C24H34ClN3O9P2
MW: 605.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass605.1458814
Monoisotopic Mass605.1458814
Topological Polar Surface Area213 Ų
Heavy Atom Count39
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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