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Substance Name: 2-Cyclopenten-1-one, 3-(((8-beta)-1-(1,1-dimethylethyl)-10-methoxy-6-methylergolin-8-yl)methoxy)-
RN: 113702-04-8
InChIKey: QCALDAVQGVOCOV-ALKJAXCESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N2-O3

Molecular Weight

  • 422.5656
 
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Names and Synonyms

Synonym

  • 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(1-oxo-2-cyclopenten-3-yloxymethyl)ergoline

Systematic Name

  • 2-Cyclopenten-1-one, 3-(((8-beta)-1-(1,1-dimethylethyl)-10-methoxy-6-methylergolin-8-yl)methoxy)-

Registry Numbers

CAS Registry Number

  • 113702-04-8

System Generated Number

  • 0113702048

Structure Descriptors

InChI

1S/C26H34N2O3/c1-25(2,3)28-15-18-11-23-26(30-5,21-7-6-8-22(28)24(18)21)13-17(14-27(23)4)16-31-20-10-9-19(29)12-20/h6-8,12,15,17,23H,9-11,13-14,16H2,1-5H3/t17-,23-,26?/m1/s1

InChIKey

QCALDAVQGVOCOV-ALKJAXCESA-N

Smiles

CC(C)(C)n1cc2c3c1cccc3C4(C[C@H](CN([C@@H]4C2)C)COC5=CC(=O)CC5)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4843073,