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Substance Name: 2,4(1H,3H)-Pyrimidinedione, 1-((9,10-didehydro-6-methylergolin-8-yl)methyl)-, N(sup 6)-oxide, 8-beta-
RN: 121532-42-1
InChIKey: AGIGDXIBVLOVGS-MRWNPYHFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N4-O3

Molecular Weight

  • 364.403
 
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Names and Synonyms

Synonym

  • 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide

Systematic Name

  • 2,4(1H,3H)-Pyrimidinedione, 1-((9,10-didehydro-6-methylergolin-8-yl)methyl)-, N(sup 6)-oxide, 8-beta-

Registry Numbers

CAS Registry Number

  • 121532-42-1

System Generated Number

  • 0121532421

Structure Descriptors

InChI

1S/C20H20N4O3/c1-24(27)11-12(10-23-6-5-18(25)22-20(23)26)7-15-14-3-2-4-16-19(14)13(9-21-16)8-17(15)24/h2-7,9,12,17,21H,8,10-11H2,1H3,(H,22,25,26)/t12-,17+,24?/m0/s1

InChIKey

AGIGDXIBVLOVGS-MRWNPYHFSA-N

Smiles

CN1(=O)C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)Cn5ccc(=O)[nH]c5=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4859678,