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Substance Name: Ergoline-8-propionamide, alpha-cyano-2-(1,3-dithiolan-2-yl)-6-methyl-, (8-beta)-
RN: 88133-21-5
InChIKey: GKLGMAJDJQEUFF-BMTAHSHCSA-N

Molecular Formula

  • C22-H26-N4-O-S2

Molecular Weight

  • 426.6064
 
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Names and Synonyms

Synonyms

  • alpha-Cyano-2-(1,3-dithiolan-2-yl)-6-methylergoline-8-propionamide
  • Ergoline-8-propanamide, alpha-cyano-2-(1,3-dithiolan-2-yl)-6-methyl-, (8-beta)-

Systematic Name

  • Ergoline-8-propionamide, alpha-cyano-2-(1,3-dithiolan-2-yl)-6-methyl-, (8-beta)-

Registry Numbers

CAS Registry Number

  • 88133-21-5

System Generated Number

  • 0088133215

Structure Descriptors

InChI

1S/C22H26N4OS2/c1-26-11-12(7-13(10-23)21(24)27)8-15-14-3-2-4-17-19(14)16(9-18(15)26)20(25-17)22-28-5-6-29-22/h2-4,12-13,15,18,22,25H,5-9,11H2,1H3,(H2,24,27)/t12-,13?,15?,18-/m1/s1

InChIKey

GKLGMAJDJQEUFF-BMTAHSHCSA-N

Smiles

c12c([nH]c3c1c(C1[C@H](N(C[C@@H](C1)CC(C(=O)N)C#N)C)C2)ccc3)C1SCCS1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 1094, 1983.