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Ergoline-6-carboximidamide, N-hydroxy-8-[(methylthio)methyl]-, (8.beta.)-
SpectraBase Compound ID IttAZ7pryi5
InChI InChI=1S/C17H22N4OS/c1-23-9-10-5-13-12-3-2-4-14-16(12)11(8-21(14)22)6-15(13)20(7-10)17(18)19/h2-4,8,10,13,15,22H,5-7,9H2,1H3,(H3,18,19)/t10-,13-,15-/m1/s1
InChIKey YUABXNMWFLFCOY-WDBKCZKBSA-N
Mol Weight 330.45 g/mol
Molecular Formula C17H22N4OS
Exact Mass 330.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mROx2LZPsf
Name Ergoline-6-carboximidamide, N-hydroxy-8-[(methylthio)methyl]-, (8.beta.)-
Alternate Name(s) Indolo[4,3-fg]quinoline, ergoline-6-carboximidamide deriv. (5R,8R,10R)-N(2)-hydroxy-8-(methylthiomethyl)ergoline-6-carboxamidine (8beta)-1-hydroxy-8-[(methylsulfanyl)methyl]ergoline-6-carboximidamide
CAS Registry Number 98988-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4OS
InChI InChI=1S/C17H22N4OS/c1-23-9-10-5-13-12-3-2-4-14-16(12)11(8-21(14)22)6-15(13)20(7-10)17(18)19/h2-4,8,10,13,15,22H,5-7,9H2,1H3,(H3,18,19)/t10-,13-,15-/m1/s1
InChIKey YUABXNMWFLFCOY-WDBKCZKBSA-N
Molecular Weight 330.450 g/mol
SMILES O[n]1cc2c3c1cccc3[C@@]1([C@](N(C(=N)N)C[C@@](C1)(CSC)[H])(C2)[H])[H]
SPLASH splash10-0il0-0049000000-a90b0200c57422067945
Source of Spectrum H-68-1031-6
Wiley ID 1327714