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2D Structure
Also known as: Aristolochic acid b, 475-80-9, Bb72d5pu2y, Chembl602280, Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-, 6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
Molecular Formula
C16H9NO6
Molecular Weight
311.24  g/mol
InChI Key
MEEXETVZNQYRSP-UHFFFAOYSA-N
FDA UNII
BB72D5PU2Y

aristolochic acid II is a natural product found in Aristolochia, Aristolochia macrophylla, and other organisms with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
2.1.2 InChI
InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
2.1.3 InChI Key
MEEXETVZNQYRSP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
BB72D5PU2Y
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Aristolochic Acid B

2.3.2 Depositor-Supplied Synonyms

1. Aristolochic Acid B

2. 475-80-9

3. Bb72d5pu2y

4. Chembl602280

5. Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic Acid, 6-nitro-

6. 6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic Acid

7. 6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic Acid

8. Ccris 6497

9. Einecs 207-499-6

10. Unii-bb72d5pu2y

11. Brn 0329754

12. Aristolochicacidb

13. 5-19-07-00425 (beilstein Handbook Reference)

14. Schembl571697

15. 6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic Acid

16. Dtxsid00197166

17. 3,4-(methylenedioxy)-10-nitrophenanthrene-1-carboxylic Acid

18. Hy-n0511

19. Zinc2383163

20. Aristolochic Acid Ii , Hplc Grade

21. Bdbm50306854

22. Mfcd01708574

23. Akos015889601

24. Aristolochic Acid B, >=97% (hplc)

25. Ac-34517

26. As-78438

27. Cs-0009051

28. Ft-0622473

29. A904448

30. Q-100503

31. Q2548975

32. 6-nitro-phenanthro-[3,4-d]-1,3-dioxole-5-carboxylic Acid

33. B2703-350870

34. 10-nitro-3,4-(epoxymethanoxy)phenanthrene-1-carboxylic Acid

35. Gor

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 311.24 g/mol
Molecular Formula C16H9NO6
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass311.04298701 g/mol
Monoisotopic Mass311.04298701 g/mol
Topological Polar Surface Area102 Ų
Heavy Atom Count23
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1