PIPERAQUINE TETRAPHOSPHATE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: IHB5WLO51Q

Structure
InChI Key OAKKJVUSSVZQRF-UHFFFAOYSA-N
Smile Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChI
InChI=1S/C29H32Cl2N6.4H3O4P/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29;4*1-5(2,3)4/h2-9,20-21H,1,10-19H2;4*(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H44Cl2N6O16P4
Molecular Weight 927.5
AlogP 5.42
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 38.74
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 37.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria, Vivax 1 D016780 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1652442
FDA SRS IHB5WLO51Q
CONTENTS