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Substance Name: Ciguatoxin 2
RN: 142185-85-1
UNII: 9FEM1MON3P
InChIKey: RWSYPPRKMNWNII-VYQNUHOXSA-N

Note

  • Ciguatoxin -2 is a diastereomer of ciguatoxin-3; differs only in stereochemistry at carbon 52.

Classification Code

  • Natural Product

Molecular Formula

  • C60-H86-O18

Molecular Weight

  • 1095.3214
 
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Names and Synonyms

Name of Substance

  • Ciguatoxin 2

Synonyms

  • 52-Epiciguatoxin 3
  • Ciguatoxin CTX 2
  • CTX 2
  • UNII-9FEM1MON3P

Systematic Names

  • Ciguatoxin 2
  • Ciguatoxin, 54-deoxy-

Registry Numbers

CAS Registry Number

  • 142185-85-1

FDA UNII

  • 9FEM1MON3P

System Generated Number

  • 0142185851

Structure Descriptors

InChI

1S/C60H86O18/c1-29-22-42-44(25-48-54(75-42)31(3)52(64)58-55(76-48)30(2)32(4)60(78-58)20-9-21-66-60)72-46-27-51-59(5,77-47(46)23-29)50(63)26-45-36(73-51)12-7-6-11-35-37(70-45)16-17-39-38(68-35)18-19-40-43(69-39)24-49-57(74-40)53(65)56-41(71-49)13-8-10-34(67-56)15-14-33(62)28-61/h6-8,10,14-19,29-58,61-65H,9,11-13,20-28H2,1-5H3/b7-6-,15-14+/t29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60+/m1/s1

InChIKey

RWSYPPRKMNWNII-VYQNUHOXSA-N

Smiles

C[C@@H]1C[C@@H]2O[C@H]3[C@H](C[C@H]2O[C@H]4C[C@H]5O[C@H]6C\C=C/C[C@H]7O[C@H]8C=C[C@H]9O[C@@H]%10[C@@H](C[C@@H]9O[C@@H]8C=C[C@@H]7O[C@@H]6C[C@@H](O)[C@]5(C)O[C@@H]4C1)O[C@H]%11CC=C[C@@H](O[C@@H]%11[C@H]%10O)\C=C\[C@H](O)CO)O[C@@H]%12[C@@H](C)[C@H](C)[C@]%13(CCCO%13)O[C@H]%12[C@@H](O)[C@@H]3C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1ug/kg (0.001mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Toxicon. Vol. 35, Pg. 889, 1997.