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Substance Name: Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-
RN: 111337-90-7
InChIKey: VMISTYPGNAZCCX-SPBVUECSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N2-S.Cl-H

Molecular Weight

  • 322.9017
 
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Names and Synonyms

Synonyms

  • (8-beta)-6-Methyl-8-((methylthio)methyl)ergoline monohydrochloride
  • 6-Methyl-8-beta-(methylthiomethyl)-ergoline hydrochloride

Systematic Name

  • Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-

Registry Numbers

CAS Registry Number

  • 111337-90-7

System Generated Number

  • 0111337907

Molecular Formulas

Molecular Formula

  • C17-H22-N2-S.Cl-H

Molecular Formula Fragments

  • C17-H22-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22N2S.ClH/c1-19-9-11(10-20-2)6-14-13-4-3-5-15-17(13)12(8-18-15)7-16(14)19;/h3-5,8,11,14,16,18H,6-7,9-10H2,1-2H3;1H/t11-,14?,16-;/m1./s1

InChIKey

VMISTYPGNAZCCX-SPBVUECSSA-N

Smiles

CN1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)CSC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4703050,