Cas no 83586-87-2 (Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-,[1aS-(1aa,8b,8aa,8ba)]- (9CI))

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-,[1aS-(1aa,8b,8aa,8ba)]- (9CI) structure
83586-87-2 structure
Product Name:Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-,[1aS-(1aa,8b,8aa,8ba)]- (9CI)
CAS No:83586-87-2
MF:C21H29N5O5
MW:431.485464811325
CID:730299
PubChem ID:333631
Update Time:2025-04-19

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-,[1aS-(1aa,8b,8aa,8ba)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-,[1aS-(1aa,8b,8aa,8ba)]- (9CI)
    • Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-
    • NSC336239
    • 83586-87-2
    • Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
    • DTXSID30318802
    • NSC-336239
    • Inchi： 1S/C21H29N5O5/c1-11-15(23-5-8-25-6-3-4-7-25)18(28)14-12(10-31-20(22)29)21(30-2)19-13(24-19)9-26(21)16(14)17(11)27/h12-13,19,23-24H,3-10H2,1-2H3,(H2,22,29)/t12-,13+,19+,21-/m0/s1
    • InChI Key： OHFVQOCCASKYQK-PGDDNOQISA-N
    • SMILES： O(C)[C@]12[C@@H](COC(N)=O)C3C(C(=C(C)C(C=3N1C[C@@H]1[C@H]2N1)=O)NCCN1CCCC1)=O

Computed Properties

  • Exact Mass: 431.217
  • Monoisotopic Mass: 431.217
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 908
  • 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
  • XLogP3: 0.3
  • Topological Polar Surface Area: 136?2

Experimental Properties

  • Density: 1.42
  • Boiling Point: 657.3°C at 760 mmHg
  • Flash Point: 351.4°C
  • Refractive Index: 1.651
  • PSA: 136.14000
  • LogP: 0.37130

Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-,[1aS-(1aa,8b,8aa,8ba)]- (9CI) Related Literature

Related Categories

83586-87-2 (Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-(1-pyrrolidinyl)ethyl]amino]-,[1aS-(1aa,8b,8aa,8ba)]- (9CI)) Related Products

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