Cas no 185336-12-3 (12-Hydroxy Irinotecan (Mixture of Diastereomers))

12-Hydroxy Irinotecan (Mixture of Diastereomers) structure
185336-12-3 structure
Product Name:12-Hydroxy Irinotecan (Mixture of Diastereomers)
CAS No:185336-12-3
MF:C33H38N4O7
MW:602.677428722382
CID:235292
PubChem ID:58730919
Update Time:2025-04-19

12-Hydroxy Irinotecan (Mixture of Diastereomers) Chemical and Physical Properties

Names and Identifiers

    • [1,4'-Bipiperidine]-1'-carboxylicacid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4,12-dihydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-ylester
    • [1,4'-Bipiperidine]-1'-carboxylicacid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4,12-dihydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]in
    • 12-Hydroxy Irinotecan
    • IRINOTECAN 12-HYDROXY IMPURITY
    • [1,4'-Bipiperidine]-1'-carboxylicacid,4,11-diethyl-3,4,12,14-tetrahydro-4,12-dihydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-ylester, (4S)-
    • RPR 112524
    • (4S)-4,11-Diethyl-4,12-dihydroxy-9-[(4-piperidinopiperidino)carbonyloxy]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
    • [1,4'-Bipiperidine]-1'-carboxylic Acid (4S)-4,11-diethyl-3,4,12,14-tetrahydro- 4,12-dihydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl Ester
    • 185336-12-3
    • [(19S)-10,19-diethyl-12,19-dihydroxy-14,18-dioxo-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)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
    • SCHEMBL12356492
    • DTXSID60729785
    • (4S)-4,11-Diethyl-4,12-dihydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
    • 12-Hydroxy Irinotecan (Mixture of Diastereomers)
    • Inchi： 1S/C33H38N4O7/c1-3-21-22-16-20(44-32(41)36-14-10-19(11-15-36)35-12-6-5-7-13-35)8-9-25(22)34-28-26-17-24-23(18-43-31(40)33(24,42)4-2)29(38)37(26)30(39)27(21)28/h8-9,16-17,19,30,39,42H,3-7,10-15,18H2,1-2H3/t30?,33-/m0/s1
    • InChI Key： XQUUJPQAMJFQHV-OQGPVULJSA-N
    • SMILES： O(C1C=CC2=C(C=1)C(CC)=C1C(C3=CC4=C(COC([C@@]4(CC)O)=O)C(N3C1O)=O)=N2)C(N1CCC(CC1)N1CCCCC1)=O

Computed Properties

  • Exact Mass: 602.27404956g/mol
  • Monoisotopic Mass: 602.27404956g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 5
  • Complexity: 1240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 133?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 923.0±65.0 °C at 760 mmHg
  • Flash Point: 512.0±34.3 °C
  • PSA: 134.43000
  • LogP: 3.45780
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

12-Hydroxy Irinotecan (Mixture of Diastereomers) Security Information

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