EcoDrugPlus


Synonyms	Dexpramipexole dihydrochloride Dexpramipexole dihydrochloride monohydrate KNS-760704 KNS-760704 ANHYDROUS Pramipexole related compound d SND 919CL2X SND-919CL2X SND-919CL2X MONOHYDRATE
Status
Molecule Category	Salt-form
UNII	795J01AE70
EPA CompTox	DTXSID10238291

Synonyms

Dexpramipexole dihydrochloride

Dexpramipexole dihydrochloride monohydrate

KNS-760704

KNS-760704 ANHYDROUS

Pramipexole related compound d

SND 919CL2X

SND-919CL2X

SND-919CL2X MONOHYDRATE

Status

Molecule Category

Salt-form

UNII

795J01AE70

EPA CompTox

DTXSID10238291


InChI Key	APVQOOKHDZVJEX-LSBIWMFESA-N
Smiles	CCCN[C@@H]1CCc2nc(N)sc2C1.Cl.Cl.O
InChI	InChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/t7-;;;/m1.../s1

InChI Key

APVQOOKHDZVJEX-LSBIWMFESA-N

Smiles

CCCN[C@@H]1CCc2nc(N)sc2C1.Cl.Cl.O

InChI

InChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/t7-;;;/m1.../s1

Property Name	Value
Molecular Formula	C10H21Cl2N3OS
Molecular Weight	302.27
AlogP	1.58
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	50.94
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H21Cl2N3OS

Molecular Weight

302.27

AlogP

1.58

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

50.94

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

14.0

Resources	Reference
ChEMBL	CHEMBL2105687
FDA SRS	795J01AE70
PubChem	46174453
SureChEMBL	SCHEMBL2289178

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

DEXPRAMIPEXOLE DIHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References