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Substance Name: 2-Cyclopenten-1-one, 3-(((8-beta)-2,6-dimethylergolin-8-yl)methoxy)-
RN: 79675-29-9
InChIKey: LOCGMUCCTDQHKW-ZEMWXQFSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O2

Molecular Weight

  • 350.4594
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethyl-8-((2-cyclopentenone)-3-oxymethyl)ergoline
  • 3-(((8-beta)-2,6-Dimethylergolin-8-yl)methoxy)-2-cyclopenten-1-one
  • Indolo(4,3-fg)quinoline, 2-cyclopenten-1-one

Systematic Name

  • 2-Cyclopenten-1-one, 3-(((8-beta)-2,6-dimethylergolin-8-yl)methoxy)-

Registry Numbers

CAS Registry Number

  • 79675-29-9

System Generated Number

  • 0079675299

Structure Descriptors

InChI

1S/C22H26N2O2/c1-13-18-10-21-19(17-4-3-5-20(23-13)22(17)18)8-14(11-24(21)2)12-26-16-7-6-15(25)9-16/h3-5,9,14,19,21,23H,6-8,10-12H2,1-2H3/t14-,19?,21-/m1/s1

InChIKey

LOCGMUCCTDQHKW-ZEMWXQFSSA-N

Smiles

Cc1c2c3c(cccc3[nH]1)C4C[C@H](CN([C@@H]4C2)C)COC5=CC(=O)CC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4382940,