Close
4

Athena Athena

X

CAS 71675-87-1 manufacturers and suppliers on PharmaCompass

PharmaCompass
4CH-017807
Also known as: 71675-87-1, 4-amino-5-ethylsulfonyl-2-methoxybenzoic acid, 2-methoxy-4-amino-5-ethylsulfonylbenzoic acid, 4-amino-5-(ethylsulphonyl)-o-anisic acid, 4-amino-5-(ethanesulfonyl)-2-methoxybenzoic acid, Benzoic acid, 4-amino-5-(ethylsulfonyl)-2-methoxy-
Molecular Formula
C10H13NO5S
Molecular Weight
259.28  g/mol
InChI Key
OJVNCXHGGYYOPH-UHFFFAOYSA-N

1 2D Structure

4CH-017807

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-5-ethylsulfonyl-2-methoxybenzoic acid
2.1.2 InChI
InChI=1S/C10H13NO5S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
2.1.3 InChI Key
OJVNCXHGGYYOPH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)OC)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 71675-87-1

2. 4-amino-5-ethylsulfonyl-2-methoxybenzoic Acid

3. 2-methoxy-4-amino-5-ethylsulfonylbenzoic Acid

4. 4-amino-5-(ethylsulphonyl)-o-anisic Acid

5. 4-amino-5-(ethanesulfonyl)-2-methoxybenzoic Acid

6. Benzoic Acid, 4-amino-5-(ethylsulfonyl)-2-methoxy-

7. 4-amino-5-(ethyl Sulfonyl)-2-methoxybenzoic Acid

8. Mfcd04973619

9. Amisulpride Impurity (2-methoxy-4-amino-5-ethylsulfonylbenzoic Acid)

10. 4-amino-5-(ethylsulphonyl)-2-methoxybenzoic Acid

11. Einecs 275-833-8

12. Ec 275-833-8

13. 4-amino-5-(ethylsulfonyl)-2-methoxybenzoicacid

14. Schembl3313702

15. Dtxsid80992277

16. Act00963

17. Albb-006392

18. Amy40446

19. Bcp22957

20. Cs-m1894

21. Zinc2540786

22. Stk503889

23. Akos005171595

24. Ac-6121

25. Gs-3369

26. S11440

27. Sy042620

28. Db-006646

29. Ft-0641361

30. 2-methoxy-4-amino-5-ethylsulphonylbenzoic Acid

31. 2-methoxy-4-amino-5-ethysulfonyl Benzoic Acid

32. 2-methoxy-4-amino-5-ethylsulphonyl Benzoic Acid

33. 4-azanyl-5-ethylsulfonyl-2-methoxy-benzoic Acid

34. 4-amino-5-(ethylsulfonyl)-2-methoxy Benzoic Acid

35. 675a871

36. A837283

37. A1-01727

38. W-104510

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 259.28 g/mol
Molecular Formula C10H13NO5S
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass259.05144369 g/mol
Monoisotopic Mass259.05144369 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count17
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty
Post Enquiry
POST ENQUIRY