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Also known as: Phacolysine, Phacolysin, 3863-80-7, Jing ming, Phacolysine sodium salt, Sodium 5,12-dihydroazapentacene disulfonate

Molecular Formula

C₁₈H₁₀N₄Na₂O₆S₂

Molecular Weight

488.4 g/mol

InChI Key

SZGZILRQIYNODJ-UHFFFAOYSA-L

FDA UNII

58B6F1X64H

1 2D Structure

Quinax

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;7,12-dihydroquinoxalino[3,2-b]phenazine-2,9-disulfonate

2.1.2 InChI

InChI=1S/C18H12N4O6S2.2Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;;/h1-8,19,21H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2

2.1.3 InChI Key

SZGZILRQIYNODJ-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])NC3=C(N2)C=C4C(=C3)N=C5C=CC(=CC5=N4)S(=O)(=O)[O-].[Na+].[Na+]

2.2 Other Identifiers

2.2.1 UNII

58B6F1X64H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5,12-dihydroazapentacene Sodium Disulfonate

2. Azapentacene

2.3.2 Depositor-Supplied Synonyms

1. Phacolysine

2. Phacolysin

3. 3863-80-7

4. Jing Ming

5. Phacolysine Sodium Salt

6. Sodium 5,12-dihydroazapentacene Disulfonate

7. Azapentacene Sulfonate Sodium

8. 58b6f1x64h

9. Sodium 5,12-dihydroquinoxalino[2,3-b]phenazine-2,9-disulfonate

10. Quinoxalino(2,3-b)phenazine, 5,12-dihydro-, Sulfonate, Sodium Salt (1:2:2)

11. 77883-76-2

12. Phacolin

13. Sodium 5,14-dihydroquinoxalino[2,3-b]phenazine-2,9-disulfonate

14. Unii-58b6f1x64h

15. Azapentacene Polysulfonate

16. Azapentacen [who-dd]

17. Dtxsid90959472

18. Disodium 5,14-dihydroquinoxalino[2,3-b]phenazine-2,9-disulfonate

19. Disodium;7,12-dihydroquinoxalino[3,2-b]phenazine-2,9-disulfonate

20. Akos015951394

21. Akos015961917

22. Ac-1537

23. Azapentacene Disulfonate Disodium

24. Azapentacene Polysulfonate Sodium

25. Ft-0673662

26. Azapentacene Polysulfonate Sodium [who-dd]

27. Q9257738

28. Q27261582

29. Quinoxalino(2,3-b)phenazine-2,9-disulfonic Acid, 5,12-dihydro-, Disodium Salt

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₀N₄Na₂O₆S₂
Molecular Weight	488.4 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	487.98371496 g/mol
Monoisotopic Mass	487.98371496 g/mol
Topological Polar Surface Area	181 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	845
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	3