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N-(1)-{/+-)-TRANS-4-[(6'-AMINO-4'-METHYLPYRRIDIN-2'-Y)-METHYL]-PYRROLIDIN-3-YL}-N-(2)_(3-FLUOROPHENETHYL)-ETHANE-1,2-DIAMINE

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N-(1)-{/+-)-TRANS-4-[(6'-AMINO-4'-METHYLPYRRIDIN-2'-Y)-METHYL]-PYRROLIDIN-3-YL}-N-(2)_(3-FLUOROPHENETHYL)-ETHANE-1,2-DIAMINE
SpectraBase Compound ID CiMgltx93F3
InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)
InChIKey PUOKPLCASUFBAN-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H30FN5
Exact Mass 371.248524 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4G9wWJcBd2
Name N-(1)-{/+-)-TRANS-4-[(6'-AMINO-4'-METHYLPYRRIDIN-2'-Y)-METHYL]-PYRROLIDIN-3-YL}-N-(2)_(3-FLUOROPHENETHYL)-ETHANE-1,2-DIAMINE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30FN5
InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)
InChIKey PUOKPLCASUFBAN-UHFFFAOYSA-N
Literature Reference Author H.JI,S.L.DELKER,H.LI,P.MARTASEK,L.J.ROMAN,T.L.POULOS,R.B.SIL VERMAN
Literature Reference Citation J.MED.CHEM.,53,7804(2010)
Literature Reference DOI 10.1021/jm100947x
Solvent D2O
Source File Reference UWMZ34536