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CAS 72131-33-0

CAS 72131-33-0

Chemistry

Chemistry

Also known as: Bm-13177, 72131-33-0, Sk&f 95587, Bm 13.177, Bm 13177, Sk&f-95587

Molecular Formula

C₁₆H₁₇NO₅S

Molecular Weight

335.4 g/mol

InChI Key

XTNWJMVJVSGKLR-UHFFFAOYSA-N

FDA UNII

74574CO5A6

1 2D Structure

CAS 72131-33-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetic acid

2.1.2 InChI

InChI=1S/C16H17NO5S/c18-16(19)12-22-14-8-6-13(7-9-14)10-11-17-23(20,21)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)

2.1.3 InChI Key

XTNWJMVJVSGKLR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)OCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

74574CO5A6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-(2-(benzenesulfonamido)ethyl)phenoxyacetic Acid

2. Bm 13,177

3. Bm 13.177

4. Bm 13177

5. Bm-13177

6. Sk And F 95587

7. Sk And F-95587

8. Skf 95587

9. Skf-95587

2.3.2 Depositor-Supplied Synonyms

1. Bm-13177

2. 72131-33-0

3. Sk&f 95587

4. Bm 13.177

5. Bm 13177

6. Sk&f-95587

7. Acetic Acid, (4-(2-((phenylsulfonyl)amino)ethyl)phenoxy)-

8. (p-(2-benzenesulfonamidoethyl)phenoxy)acetic Acid

9. Chembl8273

10. 74574co5a6

11. Bm-13.177

12. Sulotrobanum [latin]

13. Sulotrobanum

14. Skf 95587

15. Sulotroban [usan:inn:ban]

16. Unii-74574co5a6

17. 2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetic Acid

18. (4-(2-((phenylsulfonyl)amino)ethyl)phenoxy)acetic Acid

19. Sulotroban [inn]

20. Sulotroban (usan/inn)

21. Sulotroban [usan]

22. Sulotroban [mart.]

23. Schembl34187

24. Dtxsid80222440

25. Bdbm50002765

26. Pdsp1_000740

27. Pdsp2_000728

28. D05970

29. 4-(2-benzenesulfonylaminoethyl)phenoxyacetic Acid

30. 4-[2-(benzene-sulphonamido)-ethyl]-phenoxyacetic Acid

31. Q27266250

32. [4-(2-benzenesulfonylamino-ethyl)-phenoxy]-acetic Acid

33. [4-(2-benzenesulfonylamino-ethyl)-phenoxy]-acetic Acid (bm 13177)

34. [4-(2-benzenesulfonylamino-ethyl)-phenoxy]-acetic Acid(sulotroban)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₇NO₅S
Molecular Weight	335.4 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	335.08274382 g/mol
Monoisotopic Mass	335.08274382 g/mol
Topological Polar Surface Area	101 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	459
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Arrhythmia Agents

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)

Fibrinolytic Agents

Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN. (See all compounds classified as Fibrinolytic 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.)