4'-Demethylamino-4',5'-dihydroxystaurosporine
[CAS# 155416-34-5]

Identification

• Name: 4'-Demethylamino-4',5'-dihydroxystaurosporine
• Synonyms: Mlr-52; 4'-Demethylamino-4',5'-Dihydroxystaurosporine; 9,13-Epoxy-1H,9H-Diindolo(1,2,3-Gh:3',2',1'-Lm)Pyrrolo(3,4-J)(1,7)Benzodiazonin-1-One, 2,3,10,11,12,13-Hexahydro-11,12-Dihydroxy-10-Methoxy-9-Methyl-, (9S-(9Alpha,10Beta,11Alpha,12Alpha,13Alpha))-
• Molecular Formula: C₂₇H₂₃N₃O₅
• Molecular Weight: 469.50
• CAS Registry Number: 155416-34-5
• SMILES: [C@]34([N]7C2=C(C1=C(C(=O)NC1)C5=C2[N]([C@@H](O3)[C@H]([C@H]([C@@H]4OC)O)O)C6=C5C=CC=C6)C8=C7C=CC=C8)C
• InChI: 1S/C27H23N3O5/c1-27-24(34-2)22(31)23(32)26(35-27)29-15-9-5-3-7-12(15)18-19-14(11-28-25(19)33)17-13-8-4-6-10-16(13)30(27)21(17)20(18)29/h3-10,22-24,26,31-32H,11H2,1-2H3,(H,28,33)/t22-,23+,24+,26+,27-/m1/s1
• InChIKey: CCOPBVQTBWBCIK-IKERNBKFSA-N

Properties

• Density: 1.718g/cm³ (Cal.)
• Boiling point: 732.631°C at 760 mmHg (Cal.)
• Flash point: 396.881°C (Cal.)