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Substance Name: LEK 8841
RN: 145204-80-4
InChIKey: FWTCLZWHQXOPTF-JSUROZADSA-N

Molecular Formula

  • C20-H20-Br-N3-O.C-H4-O3-S

Molecular Weight

  • 494.4076
 
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Names and Synonyms

Name of Substance

  • LEK 8841

Synonyms

  • 2-Bromo-9,10-didehydro-N-methyl-N-(2-propynyl)-6-methylergoline-8beta-carboxamide
  • LEK-8841

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 145204-80-4

System Generated Number

  • 0145204804

Molecular Formulas

Molecular Formula

  • C20-H20-Br-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H20-Br-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H20BrN3O.CH4O3S/c1-4-8-23(2)20(25)12-9-14-13-6-5-7-16-18(13)15(19(21)22-16)10-17(14)24(3)11-12;1-5(2,3)4/h1,5-7,9,12,17,22H,8,10-11H2,2-3H3;1H3,(H,2,3,4)/t12-,17-;/m1./s1

InChIKey

FWTCLZWHQXOPTF-JSUROZADSA-N

Smiles

CN1C[C@@H](C=C2[C@H]1Cc3c4c2cccc4[nH]c3Br)C(=O)N(C)CC#C.CS(=O)(=O)O