7-{2-[(b-3,4-trihydroxyphenethyl)amino]ethyl}theophylline, monohydrochloride

SpectraBase Compound ID	Eori7JbUzSH
InChI	InChI=1S/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H
InChIKey	CSKCJAUXLOQTMM-UHFFFAOYSA-N Google Search
Mol Weight	411.85 g/mol
Molecular Formula	C17H22ClN5O5
Exact Mass	411.130947 g/mol

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SpectraBase Spectrum ID	KbW0pjQBxm5
Name	7-{2-[(beta,3,4-TRIHYDROXYPHENETHYL)AMINO]ETHYL}THEOPHYLLINE, MONOHYDROCHLORIDE
Source of Sample	J. ENGEL, CHEMIEWERK HOMBURG, FRANKFURT/MAIN, GERMANY
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H22ClN5O5
InChI	InChI=1S/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H
InChIKey	CSKCJAUXLOQTMM-UHFFFAOYSA-N
Literature Reference	CHEM. ZEIT. 96, 424(1972)
Melting Point	186-188C (dec.)
Molecular Weight	411.842987
Synonyms	THEOPHYLLINE, 7-/2-//B,3,4-TRI- HYDROXYPHENETHYL/AMINO/ETHYL/-, MONO- HYDROCHLORIDE
Technique	KBr WAFER