Cas no 137109-42-3 (3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-)

3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- structure
137109-42-3 structure
Product Name:3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-
CAS No:137109-42-3
MF:C28H34N4O4
MW:490.593966960907
CID:141529
PubChem ID:132024
Update Time:2025-04-19

3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- Chemical and Physical Properties

Names and Identifiers

    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-
    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydro
    • Cytoblastin
    • 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(2,3-dihydroxy-1-(1H-indol-3-yl)propyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-
    • 9-[2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one
    • 137109-42-3
    • CHEMBL1995098
    • NSC654239
    • NCI60_018832
    • 5-[2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
    • NSC-654239
    • Cytoblastine
    • NSC 654239
    • Inchi： 1S/C28H34N4O4/c1-15(2)27-28(36)31-17(13-33)10-16-11-30-26-19(8-9-22(24(16)26)32(27)3)25(23(35)14-34)20-12-29-21-7-5-4-6-18(20)21/h4-9,11-12,15,17,23,25,27,29-30,33-35H,10,13-14H2,1-3H3,(H,31,36)
    • InChI Key： NXVPLRFWXAISBZ-UHFFFAOYSA-N
    • SMILES： OC(CO)C(C1=CNC2C=CC=CC1=2)C1=CC=C2C3C(=CNC=31)CC(CO)NC(C(C(C)C)N2C)=O

Computed Properties

  • Exact Mass: 490.25822
  • Monoisotopic Mass: 490.258
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 6
  • Complexity: 768
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.8
  • Topological Polar Surface Area: 125?2

Experimental Properties

  • Density: 1.292
  • Boiling Point: 875.2°C at 760 mmHg
  • Flash Point: 483.1°C
  • Refractive Index: 1.665
  • PSA: 124.61

3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- Related Literature

Related Categories

137109-42-3 (3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-) Related Products

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