Tezosentan disodium
PubChem CID
6918475
Structure
Molecular Formula
Synonyms
- Tezosentan disodium
- Veletri
- UNII-2Q53CXJ1D6
- Ro 61
- 2Q53CXJ1D6
Molecular Weight
649.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2006-07-28
- Modify:2025-01-11
Description
A prostaglandin that is a powerful vasodilator and inhibits platelet aggregation. It is biosynthesized enzymatically from PROSTAGLANDIN ENDOPEROXIDES in human vascular tissue. The sodium salt has been also used to treat primary pulmonary hypertension (HYPERTENSION, PULMONARY).
See also: Tezosentan (annotation moved to).
Chemical Structure Depiction
3D Conformer of Parent
disodium;[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-4-yl]pyrimidin-4-yl]-(5-propan-2-ylpyridin-2-yl)sulfonylazanide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C27H25N9O6S.2Na/c1-16(2)18-8-9-22(29-15-18)43(38,39)34-26-23(42-21-7-5-4-6-20(21)40-3)27(41-13-12-37)31-24(30-26)17-10-11-28-19(14-17)25-32-35-36-33-25;;/h4-11,14-16,37H,12-13H2,1-3H3;;/q-2;2*+1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
LJEMFZYMXONDDJ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(C)C1=CN=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=CC(=NC=C3)C4=NN=N[N-]4)OCCO)OC5=CC=CC=C5OC.[Na+].[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C27H25N9Na2O6S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
180384-58-1
- Epoprostanol
- Epoprostenol
- Epoprostenol Sodium
- Epoprostenol Sodium Salt, (5Z,9alpha,11alpha,13E,15S)-Isomer
- Flolan
- Prostacyclin
- Prostaglandin I(2)
- Prostaglandin I2
- Veletri
- Tezosentan disodium
- Veletri
- UNII-2Q53CXJ1D6
- Ro 61
- 2Q53CXJ1D6
- 180384-58-1
- Ro-61-0612
- TEZOSENTAN SODIUM SALT
- TEZOSENTAN SODIUM SALT [MI]
- 2-Pyridinesulfonamide, N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-(1H-tetrazol-5-yl)-4-pyridinyl)-4-pyrimidinyl)-5-(1-methylethyl)-, disodium salt
- 2-PYRIDINESULFONAMIDE, N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2-(2-(2H-TETRAZOL-5-YL)-4-PYRIDINYL)-4-PYRIMIDINYL)-5-(1-METHYLETHYL)-, SODIUM SALT (1:2)
- DISODIUM (6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2-(2-(2,3,4-TRIAZA-5-AZANIDA-1-YL)-4-PYRIDYL)PYRIMIDIN-4-YL)-((5-ISOPROPYL-2-PYRIDYL)SULFONYL)AZANIDE
- disodium;[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-4-yl]pyrimidin-4-yl]-(5-propan-2-ylpyridin-2-yl)sulfonylazanide
- N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2-(2-(1H-TETRAZOL-5-YL)PYRIDIN-4-YL)PYRIMIDIN-4-YL)-5-ISOPROPYLPYRIDINE-2-SULFONAMIDE DISODIUM SALT
- Q27255464
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
649.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
15
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
649.14438929 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
649.14438929 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
183 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
45
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
956
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Human drug -> Prescription
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Tezosentan (annotation moved to)
Antihypertensive Agents
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)
Platelet Aggregation Inhibitors
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LJEMFZYMXONDDJ-UHFFFAOYSA-N
- ChemIDplusTezosentan disodiumhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0180384581ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingTEZOSENTAN DISODIUMhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/2Q53CXJ1D6
- Drugs@FDALICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Springer Nature
- Wikidatatezosentan disodiumhttps://www.wikidata.org/wiki/Q27255464
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlEpoprostenolhttps://www.ncbi.nlm.nih.gov/mesh/68011464Antihypertensive Agentshttps://www.ncbi.nlm.nih.gov/mesh/68000959Platelet Aggregation Inhibitorshttps://www.ncbi.nlm.nih.gov/mesh/68010975
- PubChem
- PATENTSCOPE (WIPO)SID 389307651https://pubchem.ncbi.nlm.nih.gov/substance/389307651
CONTENTS