Chitraline

(6aR)-9-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

Also Known As: Chitraline|O7 -Demethylpakistanine|J2.401.994B|4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-(((1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-|(6aR)-5,6,6a,7-Tetrahydro-2-methoxy-6-methyl-9-[4-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methylisoquinoline-1-yl]methyl]phenoxy]-4H-dibenzo[de,g]quinoline-1,10-diol|(6aR)-9-(4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol|(9R)-5-(4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-15-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene-4,16-diol|4H-DIBENZO(DE,G)QUINOLINE-1,10-DIOL,5,6,6A,7-TETRAHYDRO-2-METHOXY-6-METHYL-9-(4-(((1S)-1,2,3,4-TETRAHYDRO-7- HYDROXY-6-METHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)-,(6AR)-|9-{4-[(7-Hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

Molecular Formula	C36H38N2O6
Molecular Weight	594.273 g/mol
LogP	5.8
Topological Polar Surface Area	94.9 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	594.273
Monoisotopic Mass	594.273
Heavy Atoms	44
Complexity	963.0

Chemical Identifiers

CAS Number	77754-91-7
SMILES	CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C43)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O)O)OC
InChIKey	BOIKIQGXBLVZFH-WUFINQPMSA-N