EcoDrugPlus


Synonyms	Dartalan Thiopropazate dihydrochloride Thiopropazate hydrochloride
Status
Molecule Category	Salt-form
UNII	2K5E7BGM8X
EPA CompTox	DTXSID40163249

Synonyms

Dartalan

Thiopropazate dihydrochloride

Thiopropazate hydrochloride

Status

Molecule Category

Salt-form

UNII

2K5E7BGM8X

EPA CompTox

DTXSID40163249


InChI Key	DRLLEHPFGRESBT-UHFFFAOYSA-N
Smiles	CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.Cl.Cl
InChI	InChI=1S/C23H28ClN3O2S.2ClH/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27;;/h2-3,5-8,17H,4,9-16H2,1H3;2*1H

InChI Key

DRLLEHPFGRESBT-UHFFFAOYSA-N

Smiles

CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.Cl.Cl

InChI

InChI=1S/C23H28ClN3O2S.2ClH/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27;;/h2-3,5-8,17H,4,9-16H2,1H3;2*1H

Property Name	Value
Molecular Formula	C23H30Cl3N3O2S
Molecular Weight	518.94
AlogP	4.51
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	7.0
Polar Surface Area	36.02
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C23H30Cl3N3O2S

Molecular Weight

518.94

AlogP

4.51

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

7.0

Polar Surface Area

36.02

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

30.0

Resources	Reference
ChEMBL	CHEMBL3989786
FDA SRS	2K5E7BGM8X
PubChem	67416
SureChEMBL	SCHEMBL955965

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...

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Last update: Monday, 3 November 2025

THIOPROPAZATE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References