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Substance Name: Aplysiatoxin
RN: 52659-57-1
InChIKey: RHJPBGWFGOAEID-FAXOFGCBSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C32-H47-Br-O10

Molecular Weight

  • 671.6173
 
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Names and Synonyms

Name of Substance

  • Aplysiatoxin

Synonyms

  • Aplysiatoxin
  • BRN 1675020

Systematic Name

  • Aplysiatoxin

Registry Numbers

CAS Registry Number

  • 52659-57-1

System Generated Number

  • 0052659571

Structure Descriptors

InChI

1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1

InChIKey

RHJPBGWFGOAEID-FAXOFGCBSA-N

Smiles

CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c4cc(O)ccc4Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 118ug/kg (0.118mg/kg) LIVER: OTHER CHANGES

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Toxicon. Vol. 36, Pg. 1913, 1998.