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Substance Name: 3-Buten-2-one, 4-(((8-beta)-6-methyl-2-(methylthio)ergolin-8-yl)methoxy)-
RN: 79675-57-3
InChIKey: RUNTZGMSRDPHKB-UXIMIFLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O2-S

Molecular Weight

  • 370.5144
 
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Names and Synonyms

Synonyms

  • 2-Thiomethyl-6-methyl-8-((3-buten-2-one)-4-oxymethyl)ergoline
  • 4-(((8-beta)-6-Methyl-2-(methylthio)ergolin-8-yl)methoxy)-3-buten-2-one

Systematic Name

  • 3-Buten-2-one, 4-(((8-beta)-6-methyl-2-(methylthio)ergolin-8-yl)methoxy)-

Registry Numbers

CAS Registry Number

  • 79675-57-3

System Generated Number

  • 0079675573

Structure Descriptors

InChI

1S/C21H26N2O2S/c1-13(24)7-8-25-12-14-9-16-15-5-4-6-18-20(15)17(21(22-18)26-3)10-19(16)23(2)11-14/h4-8,14,16,19,22H,9-12H2,1-3H3/b8-7+/t14-,16?,19-/m1/s1

InChIKey

RUNTZGMSRDPHKB-UXIMIFLRSA-N

Smiles

CC(=O)/C=C/OC[C@@H]1CC2c3cccc4c3c(c([nH]4)SC)C[C@H]2N(C1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4382940,