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Substance Name: LEK 8829
RN: 145204-78-0
InChIKey: MZNFBRQGHUXNJH-KEZWHQCISA-N

Molecular Formula

  • C20-H21-N3-O.C-H4-O3-S

Molecular Weight

  • 415.5115
 
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Names and Synonyms

Name of Substance

  • LEK 8829

Synonyms

  • 9,10-Didehydro-N-methyl-N-(2-propynyl)-6-methyl-8beta-aminomethylergoline
  • LEK 8842

Systematic Name

  • Ergoline-8-carboxamide, 9,10-didehydro-N,6-dimethyl-N-2-propynyl-, (8beta)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 145204-78-0

System Generated Number

  • 0145204780

Molecular Formulas

Molecular Formula

  • C20-H21-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H21-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21N3O.CH4O3S/c1-4-8-22(2)20(24)14-9-16-15-6-5-7-17-19(15)13(11-21-17)10-18(16)23(3)12-14;1-5(2,3)4/h1,5-7,9,11,14,18,21H,8,10,12H2,2-3H3;1H3,(H,2,3,4)/t14-,18-;/m1./s1

InChIKey

MZNFBRQGHUXNJH-KEZWHQCISA-N

Smiles

CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N(C)CC#C.CS(=O)(=O)O