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Substance Name: Ergoline-8-carboxamide, N-(1,1-dimethylethyl)-6-methyl-, (8-beta)-, (Z)-2-butenedioate (1:1)
RN: 50504-28-4
InChIKey: WABIKZBGLIZFAU-JWYJLEGCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N3-O.C4-H4-O4

Molecular Weight

  • 441.5249
 
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Names and Synonyms

Synonym

  • (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-carboxamide (Z)-2-butenedioate (1:1)

Systematic Name

  • Ergoline-8-carboxamide, N-(1,1-dimethylethyl)-6-methyl-, (8-beta)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 50504-28-4

System Generated Number

  • 0050504284

Molecular Formulas

Molecular Formula

  • C20-H27-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C20-H27-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27N3O.C4H4O4/c1-3-4-8-21-20(24)14-9-16-15-6-5-7-17-19(15)13(11-22-17)10-18(16)23(2)12-14;5-3(6)1-2-4(7)8/h5-7,11,14,16,18,22H,3-4,8-10,12H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,18-;/m1./s1

InChIKey

WABIKZBGLIZFAU-JWYJLEGCSA-N

Smiles

CCCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1881, 1973.