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Pyronaridine tetraphosphate

CAT: 1410-M33472-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M33472-01Size:10 mg
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Description
Pyronaridine tetraphosphate is an orally active, mannitol-containing inhibitor of DNA topoisomerase 2 and erythrocyte cytokine with antimalarial and antitumour activity.Pyronaridine tetraphosphate treats P. falciparum and Echinococcus granulosus infections. Pyronaridine tetraphosphate treats P. falciparum and Echinococcus granulosus infections and attenuates Ebola virus transmission.
CAS Number
76748-86-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
910.03
Molecular Weight
C29H44ClN5O18P4
Notes
Research use only, not for human use.
Receptor
Topoisomerase

Chemical Information

Pyronaridine tetraphosphate
CAS Number76748-86-2
PubChem CID156867
IUPAC Name4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid
Molecular FormulaC29H44ClN5O18P4
Molecular Weight910.0
Topological Polar Surface Area385
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count23
Rotatable Bond Count7
Heavy Atom Count57
Formal Charge0
Complexity757
SMILES
COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
InChI
InChI=1S/C29H32ClN5O2.4H3O4P/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35;4*1-5(2,3)4/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32);4*(H3,1,2,3,4)
InChIKey
YKUQEKXHQFYULM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyronaridine tetraphosphate
CAS: 76748-86-2
CID: 156867
Formula: C29H44ClN5O18P4
MW: 910.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight910.0
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count23
Rotatable Bond Count7
Exact Mass909.1320353
Monoisotopic Mass909.1320353
Topological Polar Surface Area385 Ų
Heavy Atom Count57
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes