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Chemistry

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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

Quinax
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 Weight 488.4 g/mol
Molecular Formula C18H10N4Na2O6S2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass487.98371496 g/mol
Monoisotopic Mass487.98371496 g/mol
Topological Polar Surface Area181 Ų
Heavy Atom Count32
Formal Charge0
Complexity845
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

API SUPPLIERS

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01

Farmak JSC

Ukraine

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

American Pharma Summit
Not Confirmed
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Farmak JSC

Ukraine

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

arrow
American Pharma Summit
Not Confirmed
USDMF CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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FDF DOSSIERS

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18 Feb 2020

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18 Feb 2020

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18 Feb 2020

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