Cas no 4055-40-7 (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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)-)

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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)- structure
4055-40-7 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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)-
CAS No:4055-40-7
MF:C16H19N3O6
MW:349.338564157486
CID:330646
PubChem ID:19973
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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)- 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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)-
    • Mitomycin B
    • Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b...
    • 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-hydroxy-6-methoxy
    • Mitomycin B Discon
    • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione,1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-,8-carbamate
    • CID4209
    • Mitomycin B 0nnDiscontinued
    • [1aS-(1aalpha,8alpha,8aalpha,8balpha)]-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
    • MITOMYCIN B [MI]
    • MITOMYCIN IMPURITY C [EP IMPURITY]
    • DTXSID001318185
    • VT1IGL3D7V
    • UNII-VT1IGL3D7V
    • 4055-40-7
    • CHEMBL323536
    • Q22252155
    • SCHEMBL783139
    • HSDB 3419
    • [(1aS,8R,8aR,8bS)-8a-hydroxy-6-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
    • CHEBI:85416
    • UZUUQCBCWDBYCG-DQRAMIIBSA-N
    • 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-HYDROXY-6-METHOXY-1,5-DIMETHYL-, (1AS,8R,8AR,8BS)-
    • MITOMYCIN B [HSDB]
    • [(4S,6S,7R,8R)-7-hydroxy-11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
    • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-, 8-carbamate
    • Inchi： 1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h7-8,14,23H,4-5H2,1-3H3,(H2,17,22)/t7-,8-,14-,16+,18?/m0/s1
    • InChI Key： UZUUQCBCWDBYCG-DQRAMIIBSA-N
    • SMILES： O[C@@]12[C@@H](COC(N)=O)C3C(C(=C(C)C(C=3N1C[C@H]1[C@@H]2N1C)=O)OC)=O

Computed Properties

  • Exact Mass: 349.12700
  • Monoisotopic Mass: 349.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 787
  • 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
  • Surface Charge: 0
  • Tautomer Count: 18
  • XLogP3: nothing
  • Topological Polar Surface Area: 122A^2

Experimental Properties

  • Density: 1.57±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 483.53°C (rough estimate)
  • Flash Point: 320.6°C
  • Refractive Index: 1.6500 (estimate)
  • Solubility: Almost insoluble (0.011 g/l) (25 o C),
  • PSA: 122.17000
  • LogP: -0.69930

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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)- Security Information

  • Toxicity：LD50 i.v. in mice: 10 mg/kg (Hata, 1956); also reported as 3 mg/kg (Kinoshita)

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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)- Related Literature

Related Categories

4055-40-7 (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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)-) Related Products

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