EcoDrugPlus


Synonyms	CI-433 CN-17,900-2B CN-17900-2B Clamoxyl Clamoxyquin dihydrochloride Clamoxyquin hcl Clamoxyquin hydrochloride Clamoxyquine hydrochloride NSC-20246 PAA-3854
Status
Molecule Category	Salt-form
UNII	SQ922M93PI

Synonyms

CI-433

CN-17,900-2B

CN-17900-2B

Clamoxyl

Clamoxyquin dihydrochloride

Clamoxyquin hcl

Clamoxyquin hydrochloride

Clamoxyquine hydrochloride

NSC-20246

PAA-3854

Status

Molecule Category

Salt-form

UNII

SQ922M93PI


InChI Key	MHQRIKBJCFNCIH-UHFFFAOYSA-N
Smiles	CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O.Cl
InChI	InChI=1S/C17H24ClN3O.ClH/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22;/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3;1H

InChI Key

MHQRIKBJCFNCIH-UHFFFAOYSA-N

Smiles

CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O.Cl

InChI

InChI=1S/C17H24ClN3O.ClH/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22;/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3;1H

Property Name	Value
Molecular Formula	C17H25Cl2N3O
Molecular Weight	358.31
AlogP	3.42
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	48.39
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C17H25Cl2N3O

Molecular Weight

358.31

AlogP

3.42

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

48.39

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

22.0

Resources	Reference
ChEMBL	CHEMBL2106065
FDA SRS	SQ922M93PI
SureChEMBL	SCHEMBL4468664

Resources

Reference

ChEMBL

CHEMBL2106065

FDA SRS

SQ922M93PI

SureChEMBL

SCHEMBL4468664

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

CLAMOXYQUIN HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References