Sulfisoxazole Diolamine

Synopsis, Chemistry

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Also known as: 4299-60-9, Sulfafurazole diolamine, Sulfafurazol 2,2'-imidodiethanol, Sulfisoxazole diolamine [usan], Sulphafurazole diolamine, Sulfisoxazole diolamine [usan:usp]

Molecular Formula

C₁₅H₂₄N₄O₅S

Molecular Weight

372.4 g/mol

InChI Key

FEPTXVIRMZIGFY-UHFFFAOYSA-N

FDA UNII

30S4B46J8B

A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.

1 2D Structure

Sulfisoxazole Diolamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol

2.1.2 InChI

InChI=1S/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2

2.1.3 InChI Key

FEPTXVIRMZIGFY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N.C(CO)NCCO

2.2 Other Identifiers

2.2.1 UNII

30S4B46J8B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ammonium Salt Sulfisoxazole

2. Diolamine, Sulfisoxazole

3. Gantrisin

4. Gantrisin Pediatric

5. Monolithium Salt Sulfisoxazole

6. Monosodium Salt Sulfisoxazole

7. Neoxazoi

8. Pediatric, Gantrisin

9. Sulfadimethyloxazole

10. Sulfafurazol Fna

11. Sulfafurazole

12. Sulfasoxizole

13. Sulfisoxazole

14. Sulfisoxazole, Ammonium Salt

15. Sulfisoxazole, Monolithium Salt

16. Sulfisoxazole, Monosodium Salt

17. Sulfisoxazole, Monosodium, Monomesylate Salt

18. Sulfisoxazole, Triammonium Salt

19. Tl Azole

20. Tl-azole

21. Triammonium Salt Sulfisoxazole

22. V Sul

23. V-sul

2.3.2 Depositor-Supplied Synonyms

1. 4299-60-9

2. Sulfafurazole Diolamine

3. Sulfafurazol 2,2'-imidodiethanol

4. Sulfisoxazole Diolamine [usan]

5. Sulphafurazole Diolamine

6. Sulfisoxazole Diolamine [usan:usp]

7. Nu-445

8. Sulfafurazole Diethanolamine

9. Sulfisoxazole (diethanolamine)

10. 30s4b46j8b

11. Gantrisin (tn)

12. N(sup 1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide Compound With 2,2'-iminodiethanol (1:1)

13. Benzenesulfonamide, 4-amino-n-(3,4-dimethyl-5-isoxazolyl)-, Compd. With 2,2'-iminobis(ethanol) (1:1)

14. Sulfisoxazole Diolamine (usan)

15. 4-amino-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol

16. Einecs 224-308-1

17. Unii-30s4b46j8b

18. Sulfisoxazoldiolamin

19. Sulfisoxazole Diethanolamine

20. N-(3,4-dimethylisoxazol-5-yl)sulphanilamide, Compound With 2,2'-iminodiethanol (1:1)

21. Schembl23466

22. Chembl1200321

23. Chebi:88263

24. Hy-b0323a

25. Dtxsid90195616

26. Sulfafurazole Diolamine [mart.]

27. Sulfisoxazole Diolamine [vandf]

28. Sulfisoxazole Diethanolamine Salt

29. Cs-0030851

30. Sulfafurazole Diethanolamine [who-dd]

31. Sulfisoxazole Diolamine [orange Book]

32. Sulfisoxazole Diethanolamine Salt [mi]

33. D05957

34. Q27160153

35. 4-amino-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide--2,2'-azanediyldi(ethan-1-ol) (1/1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₄N₄O₅S
Molecular Weight	372.4 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	372.14674105 g/mol
Monoisotopic Mass	372.14674105 g/mol
Topological Polar Surface Area	159 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	402
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	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)