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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 80-03-5, Acediasulphone, N-p-sulfanilylphenylglycine, N-[4-[(4-aminophenyl)sulphonyl]phenyl]glycine, 30yp2yhh8w, Chembl48396

Molecular Formula

C₁₄H₁₄N₂O₄S

Molecular Weight

306.34 g/mol

InChI Key

FKKUMFTYSTZUJG-UHFFFAOYSA-N

FDA UNII

30YP2YHH8W

Acediasulfone is a long-acting prodrug of dapsone, used in the treatment of leprosy.

1 2D Structure

Acedia Sulphone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-(4-aminophenyl)sulfonylanilino]acetic acid

2.1.2 InChI

InChI=1S/C14H14N2O4S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)

2.1.3 InChI Key

FKKUMFTYSTZUJG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

30YP2YHH8W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ace (sulfone)

2.3.2 Depositor-Supplied Synonyms

1. 80-03-5

2. Acediasulphone

3. N-p-sulfanilylphenylglycine

4. N-[4-[(4-aminophenyl)sulphonyl]phenyl]glycine

5. 30yp2yhh8w

6. Chembl48396

7. N-(4-((4-aminophenyl)sulphonyl)phenyl)glycine

8. 2-[4-(4-aminophenyl)sulfonylanilino]acetic Acid

9. Acediasulfonum

10. Nsc-158324

11. Unii-30yp2yhh8w

12. Einecs 201-243-7

13. Acediasulfone [mi]

14. Zinc862

15. Schembl143660

16. Acediasulfone [who-dd]

17. Dtxsid00229991

18. Chebi:135300

19. Bdbm50099670

20. Db08926

21. {4-[(4-aminophenyl)sulfonyl]anilino}acetic Acid

22. 2-(4-(4-aminophenylsulfonyl)phenylamino)acetic Acid

23. Q4673051

24. [4-(4-amino-benzenesulfonyl)-phenylamino]-acetic Acid

25. 2-({4-[(4-aminophenyl)sulfonyl]phenyl}amino)acetic Acid

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₄N₂O₄S
Molecular Weight	306.34 g/mol
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	306.06742811 g/mol
Monoisotopic Mass	306.06742811 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	444
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