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Substance Name: 2-Cyclopenten-1-one, 3-(((8-beta)-6-methylergolin-8-yl)methoxy)-
RN: 79675-25-5
InChIKey: VPGKKBORKPVHMP-GYMYDKHPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O2

Molecular Weight

  • 336.4326
 
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Names and Synonyms

Synonyms

  • 3-(((8-beta)-6-Methylergolin-8-yl)methoxy)-2-cyclopenten-1-one
  • 6-Methyl-8-((2-cyclopentenone)-3-oxymethyl)ergoline

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 79675-25-5

System Generated Number

  • 0079675255

Structure Descriptors

InChI

1S/C21H24N2O2/c1-23-11-13(12-25-16-6-5-15(24)9-16)7-18-17-3-2-4-19-21(17)14(10-22-19)8-20(18)23/h2-4,9-10,13,18,20,22H,5-8,11-12H2,1H3/t13-,18?,20-/m1/s1

InChIKey

VPGKKBORKPVHMP-GYMYDKHPSA-N

Smiles

CN1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)COC5=CC(=O)CC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 600mg/kg (600mg/kg)   United States Patent Document. Vol. #4382940,