Cas no 86639-62-5 ((S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione)

(S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione structure
86639-62-5 structure
Product Name:(S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
CAS No:86639-62-5
MF:C20H15N3O6
MW:393.349604845047
MDL:MFCD06656294
CID:61008
PubChem ID:9865348
Update Time:2024-10-26

(S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Chemical and Physical Properties

Names and Identifiers

    • (S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • 9-Nitrocamptothecin
    • (S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]-indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • (S)-4-Ethyl-4-hydroxy-9-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-nitro-, (S)-
    • 10-Nitrocamptothecin
    • (4S)-4-Ethyl-4-hydroxy-9-nitro-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione (ACI)
    • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-nitro-, (S)- (ZCI)
    • (S)-4-Ethyl-4-hydroxy-9-nitro-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • RUBETICAN
    • CAMPTOTHECIN, 9-NITRO-20(S)-
    • 9-NITRO-CPT
    • 4α-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • 9-Nitro-20(S)-camptothecine
    • (S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]-indolizino[1,2-b]quinoline-3,14(4H,12H)-di
    • MDL： MFCD06656294
    • Inchi： 1S/C20H15N3O6/c1-2-20(26)14-7-16-17-11(8-22(16)18(24)13(14)9-29-19(20)25)5-10-6-12(23(27)28)3-4-15(10)21-17/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
    • InChI Key： XLHNAFUKOSPOAT-FQEVSTJZSA-N
    • SMILES： O=C1C2COC([C@](C=2C=C2C3N=C4C=CC(=CC4=CC=3CN12)[N+](=O)[O-])(O)CC)=O

Computed Properties

  • Exact Mass: 393.09600
  • Monoisotopic Mass: 393.09608521g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 2
  • Complexity: 861
  • 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: 0.8
  • Topological Polar Surface Area: 126?2

Experimental Properties

  • Density: 1.63±0.1 g/cm3(Predicted)
  • Boiling Point: 827.4±65.0 °C(Predicted)
  • PSA: 127.24000
  • LogP: 2.51100
  • pka: 11.17±0.20(Predicted)

(S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Pricemore >>

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