Cas no 155416-34-5 (4'-Demethylamino-4',5'-dihydroxystaurosporine)

4'-Demethylamino-4',5'-dihydroxystaurosporine structure
155416-34-5 structure
Product Name:4'-Demethylamino-4',5'-dihydroxystaurosporine
CAS No:155416-34-5
MF:C27H23N3O5
MW:469.488626718521
CID:148046
PubChem ID:192702
Update Time:2024-02-29

4'-Demethylamino-4',5'-dihydroxystaurosporine Chemical and Physical Properties

Names and Identifiers

    • 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one,2,3,10,1...
    • 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-dihydro
    • 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,10R,11S,12R,13R)- (9CI)
    • (5R,6S,7R,8S,9S)-7,8-dihydroxy-6-methoxy-5-methyl-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
    • 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))-
    • Mlr 52
    • Mlr-52
    • DTXSID20935204
    • (2R,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
    • SCHEMBL2155183
    • 8-Methoxy-9-methyl-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6,7,16-triol
    • CHEBI:204934
    • 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-/m0/s1
    • InChI Key： CCOPBVQTBWBCIK-DYEJEPNJSA-N
    • SMILES： O1[C@@H]2[C@@H]([C@@H]([C@H]([C@@]1(C)N1C3C=CC=CC=3C3=C4CNC(C4=C4C5C=CC=CC=5N2C4=C13)=O)OC)O)O

Computed Properties

  • Exact Mass: 469.16377084g/mol
  • Monoisotopic Mass: 469.16377084g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 1
  • Complexity: 919
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 97.9
  • XLogP3: 2

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