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(1R,1'R)(2R,2'R)-(2-Chloro-4,6-bis[(2-hydroxy-1-hydroxymethyl-2-phenyl-ethylamino)]-1,3,5-triazine

View entire compound with spectra: 1 MS (GC)

(1R,1'R)(2R,2'R)-(2-Chloro-4,6-bis[(2-hydroxy-1-hydroxymethyl-2-phenyl-ethylamino)]-1,3,5-triazine
SpectraBase Compound ID 63yHZpYAfX1
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-/m1/s1
InChIKey LZDJYBXSNOEHSD-BRSBDYLESA-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 Kfnf0S8zfZt
Name (1R,1'R)(2R,2'R)-(2-Chloro-4,6-bis[(2-hydroxy-1-hydroxymethyl-2-phenyl-ethylamino)]-1,3,5-triazine
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-/m1/s1
InChIKey LZDJYBXSNOEHSD-BRSBDYLESA-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 splash10-01ot-0000900000-0cebb3e4fae1a6c9897a
Source of Spectrum K1-2002-1554-5
Synonyms (1S,2S)-2-[(4-chloro-6-{[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-phenylethyl]amino}-1,3,5-triazin-2-yl)amino]-1-phenyl-1,3-propanediol 2-Chloro-4,6-bis[(1',3'-dihydroxy-3'-phenylprop-2'-enyl)amino]-1,3,5-triazine
Wiley ID 872234