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N-Desmethyl Lergotrile
[CAS# 56867-81-3]

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CAS#: 56867-81-3
Product: N-Desmethyl Lergotrile
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Identification
Name N-Desmethyl Lergotrile
Synonyms N-Desmethyl Lergotrile; Pdsp1_001603; (8Beta)-2-Chloroergoline-8-Acetonitrile
Molecular Structure CAS#: 56867-81-3, N-Desmethyl Lergotrile
Molecular Formula C16H16ClN3
Molecular Weight 285.78
CAS Registry Number 56867-81-3
SMILES [C@@H]34CC1=C([NH]C2=CC=CC(=C12)C3C[C@H](CN4)CC#N)Cl
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
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