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Substance Name: Scaritoxin
RN: 66231-73-0
UNII: P251446IXQ
InChIKey: QFYRPKKCVYDHFZ-FKFYNGSCSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C60-H84-O16

Molecular Weight

  • 1061.31
 
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Names and Synonyms

Name of Substance

  • Scaritoxin

Synonyms

  • (52S)-1,2,54-Trideoxy-1,2-didehydrociguatoxin
  • UNII-P251446IXQ

Systematic Names

  • Ciguatoxin, 1,2-didehydro-1,2,54-trideoxy-, (52S)-
  • Scaritoxin

Registry Numbers

CAS Registry Number

  • 66231-73-0

FDA UNII

  • P251446IXQ

System Generated Number

  • 0066231730

Structure Descriptors

InChI

1S/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9+,13-8+/t30-,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

QFYRPKKCVYDHFZ-FKFYNGSCSA-N

Smiles

C1CCO[C@]21[C@H]([C@@H]([C@H]1O[C@H]3C[C@H]4O[C@@H]5[C@H](O[C@@]6([C@@H](C[C@@H]7[C@H](CC=CC[C@H]8O[C@@H]9[C@H](O[C@@H]%10[C@H](O[C@H]%11[C@@H]([C@@H]%12[C@H](CC=C[C@@H](\C=C\C=C)O%12)O[C@H]%11C%10)O)C=C9)C=C[C@H]8O7)O[C@H]6C5)O)C)C[C@@H](C[C@@H]4O[C@@H]3[C@H]([C@@H]([C@H]1O2)O)C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50ug/kg (0.05mg/kg)   Toxicon. Vol. 18, Pg. 199, 1980.