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Substance Name: N-Desmethyl lergotrile
RN: 56867-81-3
InChIKey: QSRIXAFISHOVGA-FVNFBUEFSA-N

Molecular Formula

  • C16-H16-Cl-N3

Molecular Weight

  • 285.776
 
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Names and Synonyms

Name of Substance

  • N-Desmethyl lergotrile

Synonym

  • Desmethyl lergotrile

Systematic Name

  • (8beta)-2-Chloroergoline-8-acetonitrile

Registry Numbers

CAS Registry Number

  • 56867-81-3

System Generated Number

  • 0056867813

Structure Descriptors

InChI

1S/C16H16ClN3/c17-16-12-7-14-11(6-9(4-5-18)8-19-14)10-2-1-3-13(20-16)15(10)12/h1-3,9,11,14,19-20H,4,6-8H2/t9-,11?,14-/m1/s1

InChIKey

QSRIXAFISHOVGA-FVNFBUEFSA-N

Smiles

[nH]1c(c2C[C@H]3NC[C@@H](C[C@@H]3c3cccc1c23)CC#N)Cl