EcoDrugPlus


Synonyms	Dopacard Dopexamine dihydrochloride Dopexamine hcl Dopexamine hydrochloride FPL 60278AR FPL-60278AR
Status
Molecule Category	Salt-form
UNII	0VN909S60Y
EPA CompTox	DTXSID40235591

Synonyms

Dopacard

Dopexamine dihydrochloride

Dopexamine hcl

Dopexamine hydrochloride

FPL 60278AR

FPL-60278AR

Status

Molecule Category

Salt-form

UNII

0VN909S60Y

EPA CompTox

DTXSID40235591


InChI Key	VPDULUNRSQWWJB-UHFFFAOYSA-N
Smiles	Cl.Cl.Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O
InChI	InChI=1S/C22H32N2O2.2ClH/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19;;/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2;2*1H

InChI Key

VPDULUNRSQWWJB-UHFFFAOYSA-N

Smiles

Cl.Cl.Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O

InChI

InChI=1S/C22H32N2O2.2ClH/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19;;/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2;2*1H

Property Name	Value
Molecular Formula	C22H34Cl2N2O2
Molecular Weight	429.43
AlogP	3.62
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	13.0
Polar Surface Area	64.52
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C22H34Cl2N2O2

Molecular Weight

429.43

AlogP

3.62

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

13.0

Polar Surface Area

64.52

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

26.0

Resources	Reference
ChEMBL	CHEMBL3989581
FDA SRS	0VN909S60Y
PubChem	68603
SureChEMBL	SCHEMBL123114

Resources

Reference

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

DOPEXAMINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References