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Substance Name: 2-Cyclopenten-1-one, 3-(((8-beta)-2-chloro-6-methylergolin-8-yl)methoxy)-
RN: 79675-32-4
InChIKey: JWUGTKQXYDFBTE-JZCUCLQMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-N2-O2

Molecular Weight

  • 370.8777
 
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Names and Synonyms

Synonyms

  • 2-Chloro-6-methyl-8-((2-cyclopentenone)-3-oxymethyl)ergoline
  • 3-(((8-beta)-2-Chloro-6-methylergolin-8-yl)methoxy)-2-cyclopenten-1-one

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 79675-32-4

System Generated Number

  • 0079675324

Structure Descriptors

InChI

1S/C21H23ClN2O2/c1-24-10-12(11-26-14-6-5-13(25)8-14)7-16-15-3-2-4-18-20(15)17(9-19(16)24)21(22)23-18/h2-4,8,12,16,19,23H,5-7,9-11H2,1H3/t12-,16?,19-/m1/s1

InChIKey

JWUGTKQXYDFBTE-JZCUCLQMSA-N

Smiles

CN1C[C@@H](CC2[C@H]1Cc3c4c2cccc4[nH]c3Cl)COC5=CC(=O)CC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4382940,