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Substance Name: Ergoline, 8-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-6-methyl-, (8-beta)-
RN: 105579-46-2
InChIKey: PIVQIZNJCANAPV-FBOUHOSPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N4

Molecular Weight

  • 334.4644
 
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Names and Synonyms

Synonym

  • 8-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)-6-methylergoline (8-beta)-

Systematic Name

  • Ergoline, 8-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-6-methyl-, (8-beta)-

Registry Numbers

CAS Registry Number

  • 105579-46-2

System Generated Number

  • 0105579462

Structure Descriptors

InChI

1S/C21H26N4/c1-13-7-14(2)25(23-13)12-15-8-18-17-5-4-6-19-21(17)16(10-22-19)9-20(18)24(3)11-15/h4-7,10,15,18,20,22H,8-9,11-12H2,1-3H3/t15-,18?,20-/m1/s1

InChIKey

PIVQIZNJCANAPV-FBOUHOSPSA-N

Smiles

Cc1cc(n(n1)C[C@@H]2CC3c4cccc5c4c(c[nH]5)C[C@H]3N(C2)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 500mg/kg (500mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 42, Pg. 1463, 1994.