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CAS 906718-66-9 manufacturers and suppliers on PharmaCompass

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SDVVSJQTYKFAFR-UHFFFAOYSA-N
Also known as: Nsc260594, Mls000756593, Smr000528812, 906718-66-9, Benzamide, 4-[(1-methyl-6-nitro-4(1h)-quinolinylidene)amino]-n-[4-[(1-methyl- 4(1h)-pyridinylidene)amino]phenyl]-, Benzamide, 4-[(1-methyl-6-nitro-4(1h)-quinolinylidene)amino]-n-[4-[(1-methyl-4(1h)-pyridinylidene)amino]phenyl]-
Molecular Formula
C29H24N6O3
Molecular Weight
504.5  g/mol
InChI Key
SDVVSJQTYKFAFR-UHFFFAOYSA-N

1 2D Structure

SDVVSJQTYKFAFR-UHFFFAOYSA-N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(1-methyl-6-nitroquinolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide
2.1.2 InChI
InChI=1S/C29H24N6O3/c1-33-16-13-24(14-17-33)30-21-7-9-23(10-8-21)32-29(36)20-3-5-22(6-4-20)31-27-15-18-34(2)28-12-11-25(35(37)38)19-26(27)28/h3-19H,1-2H3,(H,32,36)
2.1.3 InChI Key
SDVVSJQTYKFAFR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=C4C=CN(C5=C4C=C(C=C5)[N+](=O)[O-])C)C=C1
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Nsc-260594

2.2.2 Depositor-Supplied Synonyms

1. Nsc260594

2. Mls000756593

3. Smr000528812

4. 906718-66-9

5. Benzamide, 4-[(1-methyl-6-nitro-4(1h)-quinolinylidene)amino]-n-[4-[(1-methyl- 4(1h)-pyridinylidene)amino]phenyl]-

6. Benzamide, 4-[(1-methyl-6-nitro-4(1h)-quinolinylidene)amino]-n-[4-[(1-methyl-4(1h)-pyridinylidene)amino]phenyl]-

7. Benzamide, 4-[(1-methyl-6-nitro-4(1h)-quinolinylidene)amino]-n-[4-[(1-methyl-4(1h)-pyridinylidene]amino]phenyl]-

8. Cid_319089

9. Chembl1978479

10. Schembl15538290

11. Schembl17273901

12. Bdbm53245

13. Hms2880j16

14. Zinc18057104

15. Zinc100367617

16. Nsc-260594

17. (z)-4-((1-methyl-6-nitroquinolin-4(1h)-ylidene)amino)-n-(4-((1-methylpyridin-4(1h)-ylidene)amino)phenyl)benzamide

18. 4-((1-methyl-6-nitroquinolin-4(1h)-ylidene)amino)-n-(4-((1-methylpyridin-4(1h)-ylidene)amino)phenyl)benzamide

19. 4-[(1-methyl-6-nitro-4-quinolinylidene)amino]-n-[4-[(1-methyl-4-pyridinylidene)amino]phenyl]benzamide

20. 4-[(1-methyl-6-nitro-4-quinolylidene)amino]-n-[4-[(1-methyl-4-pyridylidene)amino]phenyl]benzamide

21. 4-[(1-methyl-6-nitro-quinolin-4-ylidene)amino]-n-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide

22. 4-[(e)-(1-methyl-6-nitro-4-quinolylidene)amino]-n-[4-[(1-methyl-4-pyridylidene)amino]phenyl]benzamide

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 504.5 g/mol
Molecular Formula C29H24N6O3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass504.19098865 g/mol
Monoisotopic Mass504.19098865 g/mol
Topological Polar Surface Area106 Ų
Heavy Atom Count38
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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