EcoDrugPlus


Synonyms	Sitaxentan sodium Sitaxsentan sodium Sitaxsentan sodium salt TBC-11251 SODIUM TBC-11251NA TBC-11251Z Thelin
Status
Molecule Category	Salt-form
UNII	6V9JH46E20
EPA CompTox	DTXSID50943352
Parent Compound:	SITAXENTAN

Synonyms

Sitaxentan sodium

Sitaxsentan sodium

Sitaxsentan sodium salt

TBC-11251 SODIUM

TBC-11251NA

TBC-11251Z

Thelin

Status

Molecule Category

Salt-form

UNII

6V9JH46E20

EPA CompTox

DTXSID50943352

Parent Compound:

SITAXENTAN


InChI Key	MDTNUYUCUYPIHE-UHFFFAOYSA-N
Smiles	Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2.[Na+]
InChI	InChI=1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1

InChI Key

MDTNUYUCUYPIHE-UHFFFAOYSA-N

Smiles

Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2.[Na+]

InChI

InChI=1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1

Property Name	Value
Molecular Formula	C18H14ClN2NaO6S2
Molecular Weight	476.9
AlogP	3.96
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	107.73
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C18H14ClN2NaO6S2

Molecular Weight

476.9

AlogP

3.96

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

107.73

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

29.0

Mechanism of Action	Action	Reference
Endothelin receptor, ET-A/ET-B antagonist	ANTAGONIST	PubMed PubMed PubMed

Mechanism of Action

Action

Reference

Endothelin receptor, ET-A/ET-B antagonist

ANTAGONIST

PubMed PubMed PubMed

Resources	Reference
CAS NUMBER	210421-74-2
ChEMBL	CHEMBL2105740
FDA SRS	6V9JH46E20
PubChem	11477084

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

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

SITAXENTAN SODIUM

Structure

Physicochemical Descriptors

Pharmacology

Cross References