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Substance Name: Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, 5-bromo-3-pyridinecarboxylate(ester), (8-beta)-
RN: 113702-03-7
InChIKey: TZNIJGYHPKDIBS-NQTLKNRLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-Br-N3-O3

Molecular Weight

  • 526.4718
 
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Names and Synonyms

Synonym

  • 1-(t-Butyl)-10-methoxy-6-methyl-8-beta-(5-bromo-3-pyridinecarboxymethyl)ergoline

Systematic Name

  • Ergoline-8-methanol, 1-(1,1-dimethylethyl)-10-methoxy-6-methyl-, 5-bromo-3-pyridinecarboxylate(ester), (8-beta)-

Registry Numbers

CAS Registry Number

  • 113702-03-7

System Generated Number

  • 0113702037

Structure Descriptors

InChI

1S/C27H32BrN3O3/c1-4-5-9-31-16-20-11-24-27(33-3,22-7-6-8-23(31)25(20)22)12-18(15-30(24)2)17-34-26(32)19-10-21(28)14-29-13-19/h6-8,10,13-14,16,18,24H,4-5,9,11-12,15,17H2,1-3H3/t18-,24-,27+/m1/s1

InChIKey

TZNIJGYHPKDIBS-NQTLKNRLSA-N

Smiles

CCCCn1cc2c3c1cccc3[C@]4(C[C@H](CN([C@@H]4C2)C)COC(=O)c5cc(cnc5)Br)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4843073,