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CHEMISTRY
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Chemistry

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Also known as: 15301-40-3, 8-ethoxyquinoline-5-sulfonic acid, 8-ethoxy-5-quinolinesulfonic acid, 5-quinolinesulfonic acid, 8-ethoxy-, Actinoquinol [inn], 8-ethoxyquinoline-5-sulfonic acid hydrate

Molecular Formula

C₁₁H₁₁NO₄S

Molecular Weight

253.28 g/mol

InChI Key

YAMVZYRZAMBCED-UHFFFAOYSA-N

FDA UNII

470VQE23O3

1 2D Structure

Actinoquinol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-ethoxyquinoline-5-sulfonic acid

2.1.2 InChI

InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)

2.1.3 InChI Key

YAMVZYRZAMBCED-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2

2.2 Other Identifiers

2.2.1 UNII

470VQE23O3

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 8-ethoxyquinoline-5-sulfonic Acid

2.3.2 Depositor-Supplied Synonyms

1. 15301-40-3

2. 8-ethoxyquinoline-5-sulfonic Acid

3. 8-ethoxy-5-quinolinesulfonic Acid

4. 5-quinolinesulfonic Acid, 8-ethoxy-

5. Actinoquinol [inn]

6. 8-ethoxyquinoline-5-sulfonic Acid Hydrate

7. Nsc-165584

8. 470vqe23o3

9. Ncgc00166018-01

10. Actinochinolum

11. Actinoquinolum

12. 8-ethoxy-5-chinolinsulfonsaeure

13. Actinoquinolum [inn-latin]

14. Unii-470vqe23o3

15. Einecs 239-334-9

16. Nsc165584

17. Starbld0009277

18. Actinoquinol [mi]

19. Dsstox_cid_26521

20. Dsstox_rid_81687

21. Dsstox_gsid_46521

22. Actinoquinol [who-dd]

23. Schembl555260

24. Chembl1356732

25. Dtxsid4046521

26. Chebi:135031

27. Zinc1645025

28. Tox21_112289

29. Mfcd00065059

30. Akos024319094

31. Nsc 165584

32. As-61395

33. Cas-15301-40-3

34. Db-043172

35. E0339

36. Ft-0637212

37. D90489

38. Q15633953

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁NO₄S
Molecular Weight	253.28 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	253.04087901 g/mol
Monoisotopic Mass	253.04087901 g/mol
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	351
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