Becatecarin

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Properties Simple | Detailed

Formula C33H34Cl2N4O7
IUPAC Name 5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Molecular Mass 669.552 g·mol−1
Heat of Formation -961.6 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 732.86 Å 3
Surface Area 572.76 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1,11-dichloro-6-(2-(diethylamino)ethyl)-12,13-dihydro-12-(4-o-methyl-beta-d-glucopyranosyl)-5h-indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6h)-dione
  • 5h-indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6h)-dione, 1,11-dichloro-6-(2-(diethylamino)ethyl)-12,13-dihydro-12-(4-o-methyl-beta-d-glucopyranosyl)-
  • becatecarin (usan)
  • bms 181176
  • d03220
  • xl 119
CAS Number(s)
  • 134598-30-4
InChIKey JSKFWUPVIZYJMR-UDOAKELVSA-N
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Elements H C N O Cl