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Substance Name: Elymoclavine
RN: 548-43-6
UNII: 5LR46DLO0D
InChIKey: DAVNRFCJMIONPO-UKRRQHHQSA-N

Note

  • Ergot alkaloid isolated from cultures of fungi parasitic on Elymis mollis Trin; toxic alkaloid produced by Claviceps purpurea.

Molecular Formula

  • C16-H18-N2-O

Molecular Weight

  • 254.3312
 

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Elymoclavine

Synonyms

  • 4-23-00-02716 (Beilstein Handbook Reference)
  • BRN 0030650
  • EINECS 208-948-9
  • Elymoclavin
  • Elymoclavine
  • NSC 109431
  • UNII-5LR46DLO0D

Systematic Names

  • 8,9-Didehydro-6-methylergoline-8-methanol
  • Elymoclavine
  • Ergoline-8-methanol, 8,9-didehydro-6-methyl-

Registry Numbers

CAS Registry Number

  • 548-43-6

FDA UNII

  • 5LR46DLO0D

System Generated Number

  • 0000548436

Structure Descriptors

InChI

1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1

InChIKey

DAVNRFCJMIONPO-UKRRQHHQSA-N

Smiles

CN1CC(=C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 67mg/kg (67mg/kg)   Journal of Animal Science. Vol. 41, Pg. 1700, 1975.
mouse LD50 intravenous 45mg/kg (45mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: EXCITEMENT
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 386, 1962.
mouse LD50 unreported 222mg/kg (222mg/kg)   Biomedica Biochimica Acta. Vol. 43, Pg. 1305, 1984.
rat LD50 unreported 128mg/kg (128mg/kg)   Biomedica Biochimica Acta. Vol. 43, Pg. 1305, 1984.