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Substance Name: Colocynthin
RN: 1398-78-3
UNII: 6984R18595
InChIKey: QKEJRKXVLGOJMB-YYBMGDPWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H54-O13

Molecular Weight

  • 718.8316
 
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Names and Synonyms

Name of Substance

  • Colocynthin
  • Elaterinide

Synonyms

  • alpha-Elaterin 2-D-glucopyranoside
  • beta-Glucoside de LA curcurbitaine (E)
  • Coloside A
  • Cueg
  • EINECS 215-745-9
  • Elaterin, 2-beta-glucopyranoside
  • Elaterinide
  • UNII-6984R18595

Systematic Names

  • 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2-(beta-D-glucopyranosyloxy)-9-methyl-16-alpha,20,25-trihydroxy-, 25-acetate
  • Colocynthin

Registry Numbers

CAS Registry Number

  • 1398-78-3

FDA UNII

  • 6984R18595

System Generated Number

  • 0001398783

Structure Descriptors

InChI

1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20-,21-,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1

InChIKey

QKEJRKXVLGOJMB-YYBMGDPWSA-N

Smiles

CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 40mg/kg (40mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Chimica Therapeutica. Vol. 4, Pg. 459, 1969.