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Substance Name: Thevetine
RN: 11018-93-2
UNII: LZA2QYU7PA
InChIKey: GZVMBXDQUQRICT-TZNWHQCUSA-N

Note

  • From Yellow Oleander (Thevetia peruviana) seed.

Classification Code

  • Natural Product

Molecular Formula

  • C42-H66-O18

Molecular Weight

  • 858.965
 
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Names and Synonyms

Name of Substance

  • Thevetine

Synonyms

  • EINECS 234-249-3
  • UNII-LZA2QYU7PA

Systematic Name

  • Thevetin

Registry Numbers

CAS Registry Number

  • 11018-93-2

FDA UNII

  • LZA2QYU7PA

System Generated Number

  • 0011018932

Structure Descriptors

InChI

1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22?,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34+,35+,36+,37+,38-,39+,40-,41+,42-/m0/s1

InChIKey

GZVMBXDQUQRICT-TZNWHQCUSA-N

Smiles

C1[C@@]2([C@@H]3[C@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@@H]2C[C@H](O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)[C@@H](O)[C@@H]([C@H]3O)O)[C@@H](O2)C)OC)O)C1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 843ug/kg (0.843mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 657, 1969.
guinea pig LDLo intravenous 3560ug/kg (3.56mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1258, 1967.
pigeon LDLo intravenous 1400ug/kg (1.4mg/kg) CARDIAC: CHANGE IN RATE

GASTROINTESTINAL: NAUSEA OR VOMITING

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 126, Pg. 412, 1960.