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Substance Name: Ergoline, 2-bromo-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-beta)-
RN: 115219-10-8
InChIKey: VKABNRMTNPWHBD-RYLMWKJUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-Br-N4

Molecular Weight

  • 461.4045
 
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Names and Synonyms

Synonym

  • 2-Bromo-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)ergoline (8-beta)-

Systematic Name

  • Ergoline, 2-bromo-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-beta)-

Registry Numbers

CAS Registry Number

  • 115219-10-8

System Generated Number

  • 0115219108

Structure Descriptors

InChI

1S/C25H25BrN4/c1-29-14-16(15-30-11-10-27-25(30)17-6-3-2-4-7-17)12-19-18-8-5-9-21-23(18)20(13-22(19)29)24(26)28-21/h2-11,16,19,22,28H,12-15H2,1H3/t16?,19-,22-/m1/s1

InChIKey

VKABNRMTNPWHBD-RYLMWKJUSA-N

Smiles

CN1CC(C[C@H]2[C@H]1Cc3c4c2cccc4[nH]c3Br)Cn5ccnc5c6ccccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 950mg/kg (950mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 42, Pg. 1463, 1994.