EcoDrugPlus


Synonyms	Piperaquine Phosphate Piperaquine tetraphosphate
Status
Molecule Category	Salt-form
UNII	IHB5WLO51Q

Synonyms

Piperaquine Phosphate

Piperaquine tetraphosphate

Status

Molecule Category

Salt-form

UNII

IHB5WLO51Q


InChI Key	OAKKJVUSSVZQRF-UHFFFAOYSA-N
Smiles	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;41-5(2,3)4/h2-9,20-21H,1,10-19H2;4(H3,1,2,3,4)

InChI Key

OAKKJVUSSVZQRF-UHFFFAOYSA-N

Smiles

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)

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

Property Name

Value

Molecular Formula

C29H44Cl2N6O16P4

Molecular Weight

927.5

AlogP

5.42

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

6.0

Polar Surface Area

38.74

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

37.0

Resources	Reference
ChEMBL	CHEMBL1652442
FDA SRS	IHB5WLO51Q

Resources

Reference

ChEMBL

CHEMBL1652442

FDA SRS

IHB5WLO51Q

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

PIPERAQUINE TETRAPHOSPHATE

Structure

Physicochemical Descriptors

Cross References