Cas no 190710-79-3 (N-Desmethyl Topotecan)

N-Desmethyl Topotecan structure
N-Desmethyl Topotecan structure
Product Name:N-Desmethyl Topotecan
CAS No:190710-79-3
MF:C22H21N3O5
MW:407.419245481491
CID:139264
PubChem ID:9931216
Update Time:2025-04-19

N-Desmethyl Topotecan Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-, (4S)-
    • 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4,9-dihydroxy-10-[(m...
    • N-Desmethyl Topotecan
    • (4S)-4-Ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • Topotecan N-Desmethyl Impurity
    • Topotecan N-DesMethyl Metabolite
    • N-Desmethyl Topotecan Hydrochloride Labeled d3
    • (S)-10-[(Methylamino) methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano [3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • SK&F-105992
    • N-Desmethyltopotecan
    • AKOS015914524
    • (19S)-19-ethyl-7,19-dihydroxy-8-(methylaminomethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
    • Q27252419
    • SCHEMBL14009660
    • 190710-79-3
    • 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-((methylamino)methyl)-, (4S)-
    • 1H911D604G
    • 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-, (4S)-
    • DTXSID40433015
    • (S)-4-Ethyl-4,9-dihydroxy-10-((methylamino)methyl)-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione
    • 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-,(4S)-
    • UNII-1H911D604G
    • J-012309
    • (4S)-4-Ethyl-4,9-dihydroxy-10-[(methylamino)methyl]-1H-pyrano[3?,4?:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • DTXCID80383843
    • Inchi: 1S/C22H21N3O5/c1-3-22(29)15-7-17-19-11(9-25(17)20(27)14(15)10-30-21(22)28)6-12-13(8-23-2)18(26)5-4-16(12)24-19/h4-7,23,26,29H,3,8-10H2,1-2H3/t22-/m0/s1
    • InChI Key: ZWUJOGCYOWLZFL-QFIPXVFZSA-N
    • SMILES: O1C([C@](CC)(C2C=C3C4C(=CC5C(=C(C=CC=5N=4)O)CNC)CN3C(C=2C1)=O)O)=O

Computed Properties

  • Exact Mass: 407.14800
  • Monoisotopic Mass: 407.14812078g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 3
  • Complexity: 839
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 815.5±65.0 °C at 760 mmHg
  • Flash Point: 447.0±34.3 °C
  • Refractive Index: 1.744
  • PSA: 113.68000
  • LogP: 1.89550
  • Vapor Pressure: 0.0±3.1 mmHg at 25°C

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