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(1S,2S)-2-[[4-chloro-6-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-1-phenylpropane-1,3-diol

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(1S,2S)-2-[[4-chloro-6-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-1-phenylpropane-1,3-diol
SpectraBase Compound ID 5mzRhj00upR
InChI InChI=1S/C21H24ClN5O4/c22-19-25-20(23-15(11-28)17(30)13-7-3-1-4-8-13)27-21(26-19)24-16(12-29)18(31)14-9-5-2-6-10-14/h1-10,15-18,28-31H,11-12H2,(H2,23,24,25,26,27)/t15-,16-,17-,18-/m0/s1
InChIKey LZDJYBXSNOEHSD-XSLAGTTESA-N
Mol Weight 445.91 g/mol
Molecular Formula C21H24ClN5O4
Exact Mass 445.151682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E47g725NMIF
Name (1S,2S)-2-[[4-chloro-6-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-1-phenylpropane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24ClN5O4
InChI InChI=1S/C21H24ClN5O4/c22-19-25-20(23-15(11-28)17(30)13-7-3-1-4-8-13)27-21(26-19)24-16(12-29)18(31)14-9-5-2-6-10-14/h1-10,15-18,28-31H,11-12H2,(H2,23,24,25,26,27)/t15-,16-,17-,18-/m0/s1
InChIKey LZDJYBXSNOEHSD-XSLAGTTESA-N
Molecular Weight 445.907 g/mol
SMILES N(c1nc(nc(n1)Cl)N[C@@](CO)([C@](c1ccccc1)(O)[H])[H])[C@@](CO)([C@](c1ccccc1)(O)[H])[H]
SPLASH splash10-03di-0001900000-8fec5c68cdf8c7818cb9
Source of Spectrum K1-2002-1554-5
Synonyms (1S,2S)-2-[[4-chloro-6-[[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]amino]-1,3,5-triazin-2-yl]amino]-1-phenyl-propane-1,3-diol (1S,2S)-2-[[4-chloro-6-[[(1S,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]amino]-s-triazin-2-yl]amino]-1-phenyl-propane-1,3-diol (1S,2S)-2-[[4-[[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-1-phenyl-propane-1,3-diol
Wiley ID 1522416