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Substance Name: Disermolide [INN]
RN: 127943-53-7
UNII: DHG59994DN
InChIKey: AADVCYNFEREWOS-OBRABYBLSA-N

Note

  • A lactone-bearing polyhydroxylated alkatetraene from the marine sponge Discodermia dissoluta; microtubule-stabilizing agent like taxol.

Molecular Formula

  • C33-H55-N-O8

Molecular Weight

  • 593.797
 

Classification Codes

  • Antimitotic Agents
  • Antineoplastic Agents
  • Mitosis Modulators
  • Tubulin Modulators
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Names and Synonyms

Name of Substance

  • Discodermolide
  • Disermolide [INN]

Synonyms

  • (3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-Trihydroxy-19-((2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl)-5,7,9,11,13,15-hexamethylnonadeca-1,3,11,16-tetraen-6-yl carbamate
  • Discodermolide
  • Disermolide
  • UNII-DHG59994DN
  • XAA 296

Systematic Name

  • 2H-Pyran-2-one, 6-(14-((aminocarbonyl)oxy)-2,6,12-trihydroxy-5,7,9,11,13,15-hexamethyl-3,8,16,18-nonadecatetraenyl)tetrahydro-4-hydroxy-3,5-dimethyl-, (3S-(3alpha,4beta,5beta,6alpha(2R*,3Z,5R*,6R*,7S*,8Z,11R*,12S*,13S*,14S*,15R*,16E)))-

Registry Numbers

CAS Registry Number

  • 127943-53-7

FDA UNII

  • DHG59994DN

System Generated Number

  • 0127943537

Structure Descriptors

InChI

1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,31-/m0/s1

InChIKey

AADVCYNFEREWOS-OBRABYBLSA-N

Smiles

C1([C@@H]([C@H]([C@H]([C@@H](O1)C[C@@H](\C=C/[C@@H]([C@@H]([C@H](\C=C(/C[C@@H]([C@H]([C@@H]([C@H]([C@H](\C=C/C=C)C)OC(=O)N)C)O)C)C)C)O)C)O)C)O)C)=O