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4-(p-chlorobenzyl)-6,6-dimethyl-1,4,6,7 -tetrahydro-9H-imidazo[1,2-a]purin-9-one, monohydrochloride, dihydrate
SpectraBase Compound ID 7yjlwb1Zy8Z
InChI InChI=1S/C16H16ClN5O.ClH.2H2O/c1-16(2)8-22-14(23)12-13(19-9-18-12)21(15(22)20-16)7-10-3-5-11(17)6-4-10;;;/h3-6,9H,7-8H2,1-2H3,(H,18,19);1H;2*1H2
InChIKey OALQZFSTASPEAW-UHFFFAOYSA-N
Mol Weight 402.282 g/mol
Molecular Formula C16H21Cl2N5O3
Exact Mass 401.102145 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KRvaUkrW5Tn
Name 4-(p-CHLOROBENZYL)-6,6-DIMETHYL-1,4,6,7-TETRAHYDRO-9H-IMIDAZO[1,2-a]PURIN-9-ONE, MONOHYDROCHLORIDE, DIHYDRATE
Source of Sample D. L. Temple, Mead Johnson Research Center, Evansville, Indiana
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21Cl2N5O3
InChI InChI=1S/C16H16ClN5O.ClH.2H2O/c1-16(2)8-22-14(23)12-13(19-9-18-12)21(15(22)20-16)7-10-3-5-11(17)6-4-10;;;/h3-6,9H,7-8H2,1-2H3,(H,18,19);1H;2*1H2
InChIKey OALQZFSTASPEAW-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 23, 1188(1980) Abstract-Chemical Abstracts= 93, 179371(1980)
Melting Point 119-120C
Molecular Weight 402.276001
Synonyms 9H-IMIDAZO/1,2-A/PURIN-9-ONE, 4-/P-CHLOROBENZYL/-6,6-DIMETHYL- 1,4,6,7-TETRAHYDRO-, MONOHYDROCHLORIDE, DIHYDRATE
Technique KBr WAFER