Cas no 145212-39-1 (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-hydroxy-10-methoxy-9-methyl-, [9S-(9a,10a,11b,13a)]- (9CI))

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-hydroxy-10-methoxy-9-methyl-, [9S-(9a,10a,11b,13a)]- (9CI) structure
145212-39-1 structure
Product Name: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-hydroxy-10-methoxy-9-methyl-, [9S-(9a,10a,11b,13a)]- (9CI)
CAS No:145212-39-1
MF:C27H23N3O4
MW:453.489226579666
CID:166824
PubChem ID:3036125
Update Time:2024-03-01

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-hydroxy-10-methoxy-9-methyl-, [9S-(9a,10a,11b,13a)]- (9CI) 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,2,3,10,11,12,13-hexahydro-11-hydroxy-10-methoxy-9-methyl-, [9S-(9a,10a,11b,13a)]- (9CI)
    • 4'-Demethylamino-4'-hydroxy-3'-epistaurosporine
    • 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-hydroxy-10
    • (5R,7R,8S,9S)-7-hydroxy-8-methoxy-9-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
    • 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-hydroxy-10-methoxy-9-methyl-, (9alpha,10alpha,11beta,13alpha)-
    • RK 1409B
    • RK-1409B
    • 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-hydroxy-10-methoxy-9-methyl-, [9S-(9α,10α,11β,13α)]- (9CI)
    • 6-Methoxy-5-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-7,16-diol
    • DTXSID10932540
    • Inchi： 1S/C27H23N3O4/c1-27-11-18(33-2)24(31)26(34-27)29-16-9-5-3-7-13(16)20-21-15(12-28-25(21)32)19-14-8-4-6-10-17(14)30(27)23(19)22(20)29/h3-10,18,24,26,31H,11-12H2,1-2H3,(H,28,32)/t18-,24+,26+,27-/m0/s1
    • InChI Key： IPUGEHXWDXTWIF-NNFXHWNNSA-N
    • SMILES： O1[C@]2([H])[C@@]([H])([C@]([H])(C([H])([H])[C@@]1(C([H])([H])[H])N1C3=C([H])C([H])=C([H])C([H])=C3C3=C4C([H])([H])N([H])C(C4=C4C5=C([H])C([H])=C([H])C([H])=C5N2C4=C13)=O)OC([H])([H])[H])O[H]

Computed Properties

  • Exact Mass: 453.168856
  • Monoisotopic Mass: 453.168856
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 1
  • Complexity: 886
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.6
  • XLogP3: 3

Experimental Properties

  • Density: 1.64
  • Boiling Point: 707.4°Cat760mmHg
  • Flash Point: 381.6°C
  • Refractive Index: 1.838
  • pka: 13.79±0.60(Predicted)

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-hydroxy-10-methoxy-9-methyl-, [9S-(9a,10a,11b,13a)]- (9CI) Related Literature

Related Categories

145212-39-1 (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-hydroxy-10-methoxy-9-methyl-, [9S-(9a,10a,11b,13a)]- (9CI)) Related Products

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