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1H-1,4-Benzodiazepine, 7-chloro-2,3-dihydro-1-(methyl-D3)-2,3-di-4-morpholinyl-5-phenyl-
SpectraBase Compound ID CLk3ij1UETN
InChI InChI=1S/C24H29ClN4O2/c1-27-21-8-7-19(25)17-20(21)22(18-5-3-2-4-6-18)26-23(28-9-13-30-14-10-28)24(27)29-11-15-31-16-12-29/h2-8,17,23-24H,9-16H2,1H3/i1D3
InChIKey PMVBMCNHRAUNDS-FIBGUPNXSA-N
Mol Weight 443.99 g/mol
Molecular Formula C24H262D3ClN4O2
Exact Mass 443.216734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BMWyaRkUlP
Name 1H-1,4-Benzodiazepine, 7-chloro-2,3-dihydro-1-(methyl-D3)-2,3-di-4-morpholinyl-5-phenyl-
Alternate Name(s) 7-Chloro-1-(trideuteromethyl)-5-phenyl-2,3-di(1-aza-4-oxa-cyclohexyl)-1,4-benzodiazepine
CAS Registry Number 92977-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26D3ClN4O2
InChI InChI=1S/C24H29ClN4O2/c1-27-21-8-7-19(25)17-20(21)22(18-5-3-2-4-6-18)26-23(28-9-13-30-14-10-28)24(27)29-11-15-31-16-12-29/h2-8,17,23-24H,9-16H2,1H3/i1D3
InChIKey PMVBMCNHRAUNDS-FIBGUPNXSA-N
Molecular Weight 443.993 g/mol
SMILES C1(N(c2c(C(=NC1N1CCOCC1)c1ccccc1)cc(cc2)Cl)C([2D])([2D])[2D])N1CCOCC1
SPLASH splash10-0006-3093000000-ccdf6e22c94b86d502ad
Source of Spectrum KO-11-409-7
Wiley ID 1384688