EcoDrugPlus


Trade Names	PRIMAQUINE PRIMAQUINE PHOSPHATE
Synonyms	Malquine NSC-149765 Primachine phosphate Primaquine Primaquine Phosphate Primaquine diphosphate Primaquine phosphate Primaquini diphosphas WR 2975
Status
Molecule Category	Salt-form
UNII	H0982HF78B
EPA CompTox	DTXSID6045248
Parent Compound:	PRIMAQUINE

Trade Names

PRIMAQUINE

PRIMAQUINE PHOSPHATE

Synonyms

Malquine

NSC-149765

Primachine phosphate

Primaquine

Primaquine Phosphate

Primaquine diphosphate

Primaquine phosphate

Primaquini diphosphas

WR 2975

Status

Molecule Category

Salt-form

UNII

H0982HF78B

EPA CompTox

DTXSID6045248

Parent Compound:

PRIMAQUINE


InChI Key	GJOHLWZHWQUKAU-UHFFFAOYSA-N
Smiles	COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O
InChI	InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;21-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2(H3,1,2,3,4)

InChI Key

GJOHLWZHWQUKAU-UHFFFAOYSA-N

Smiles

COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O

InChI

InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)

Property Name	Value
Molecular Formula	C15H27N3O9P2
Molecular Weight	455.34
AlogP	2.78
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	60.17
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H27N3O9P2

Molecular Weight

455.34

AlogP

2.78

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

60.17

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	63-45-6
ChEMBL	CHEMBL43128
FDA SRS	H0982HF78B
PubChem	6135
SureChEMBL	SCHEMBL41096

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

PRIMAQUINE PHOSPHATE

Structure

Physicochemical Descriptors

Cross References