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Substance Name: Bastadin 14
RN: 146345-73-5
InChIKey: HXWATZFIMWEHEG-YUALJMAISA-N

Note

  • Isolated form the sponge Psammaplysilla purpurea; inhibits dihydrofolate reductase and topoisomerase II.

Classification Codes

  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Topoisomerase II Inhibitors
  • Topoisomerase Inhibitors

Molecular Formulas

  • C34-H25-Br-N4-O8
  • C34-H25-Br5-N4-O8

Molecular Weight

  • 1017.1115
 
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Names and Synonyms

Name of Substance

  • Bastadin 14

Systematic Names

  • 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.2(14,17),1(19,23))octatriconta-3,5,7(38),14,16,19,21,23(35),28,30,32,33,36-tridecaene-11,12,25,26-tetrone, 5,16,21,32,33-pentabromo-4,20-dihydroxy-, 12,15-bis(D-methyloxime), (E,E,?)-
  • 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.214,17.13,7.119,23)octatriaconta-3,5,7(38),14,16,19,21,23(35),28,30,32,33,36-tridecaene-11,12,25,26-tetrone, 5,16,21,32,33-pentabromo-4,20-dihydroxy-, 12,15-bis(O-methyloxime), (E,E,?)-

Registry Numbers

CAS Registry Number

  • 146345-73-5

System Generated Number

  • 0146345735

Structure Descriptors

InChI

1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-15-19(11-22(37)30(28)44)13-26(43-49)34(47)40-5-3-17-9-23(38)32(24(39)10-17)51-29-14-18(8-21(36)31(29)45)4-6-41-33(46)25(12-16)42-48/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3-,42-25+,43-26+

InChIKey

HXWATZFIMWEHEG-YUALJMAISA-N

Smiles

c1cc2c(cc1C/C(=N\O)/C(=O)NCCc3cc(c(c(c3)Br)O)Oc4c(cc(cc4Br)/C=C\NC(=O)/C(=N/O)/Cc5cc(c(c(c5)Br)O)O2)Br)Br