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Substance Name: 2,4(1H,3H)-Pyrimidinedione, 1-(2-(6-methylergolin-8-yl)ethyl)-, N(sup 6)-oxide, (8-beta)-
RN: 121532-45-4
InChIKey: KJZSPMYOFNESJN-FIGSNXMJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N4-O3

Molecular Weight

  • 380.4456
 
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Names and Synonyms

Synonyms

  • (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide
  • 1-((6-Methylergolin-8-beta-yl)ethyl)-2,4-(1H,3H)-dihydropyrimidinedione-N6-oxide

Systematic Name

  • 2,4(1H,3H)-Pyrimidinedione, 1-(2-(6-methylergolin-8-yl)ethyl)-, N(sup 6)-oxide, (8-beta)-

Registry Numbers

CAS Registry Number

  • 121532-45-4

System Generated Number

  • 0121532454

Structure Descriptors

InChI

1S/C21H24N4O3/c1-25(28)12-13(5-7-24-8-6-19(26)23-21(24)27)9-16-15-3-2-4-17-20(15)14(11-22-17)10-18(16)25/h2-4,6,8,11,13,16,18,22H,5,7,9-10,12H2,1H3,(H,23,26,27)/t13-,16-,18-,25?/m1/s1

InChIKey

KJZSPMYOFNESJN-FIGSNXMJSA-N

Smiles

CN1(=O)C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CCn5ccc(=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,