Cas no 119375-01-8 (3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- (9CI))

3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- (9CI) structure
119375-01-8 structure
Product Name:3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- (9CI)
CAS No:119375-01-8
MF:C22H31N3O2
MW:369.500445604324
CID:170410
PubChem ID:154206
Update Time:2025-04-19

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

Names and Identifiers

    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- (9CI)
    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro...
    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(
    • PENDOLMYCIN
    • (2S,5S)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-9-(2-methyl-3-buten-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one
    • 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S-(2R*,5R*))
    • (2S,5S)-1,2,4,5,6,8-Hexahydro-5-hydroxymethyl-2-isopropyl-1-methyl-9-(1,1-dimethyl-2-propenyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one
    • CCRIS 4043
    • CHEBI:69600
    • CHEMBL519751
    • (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
    • 119375-01-8
    • 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-
    • DTXSID10152428
    • Q27137942
    • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)-(9ci)
    • Inchi： 1S/C22H31N3O2/c1-7-22(4,5)16-8-9-17-18-14(11-23-19(16)18)10-15(12-26)24-21(27)20(13(2)3)25(17)6/h7-9,11,13,15,20,23,26H,1,10,12H2,2-6H3,(H,24,27)/t15-,20-/m0/s1
    • InChI Key： JPJWIAYMFHOJRY-YWZLYKJASA-N
    • SMILES： O=C1[C@H](C(C)C)N(C)C2C=CC(C(C=C)(C)C)=C3C=2C(=CN3)C[C@@H](CO)N1

Computed Properties

  • Exact Mass: 369.24200
  • Monoisotopic Mass: 369.242
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 562
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 68.4?2

Experimental Properties

  • Density: 1.097
  • Boiling Point: 615.9 °C at 760 mmHg
  • Flash Point: 326.3 °C
  • Refractive Index: 1.566
  • PSA: 68.36000
  • LogP: 3.51930

3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- (9CI) Related Literature

Related Categories

119375-01-8 (3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- (9CI)) Related Products

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