L-7-{2-[(b-hydroxy-a-methylphenethyl)amino]ethyl}theophylline, monohydrochloride

SpectraBase Compound ID	7hmWAaCPMeI
InChI	InChI=1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H
InChIKey	UTTZHZDGHMJDPM-UHFFFAOYSA-N Google Search
Mol Weight	393.88 g/mol
Molecular Formula	C18H24ClN5O3
Exact Mass	393.156767 g/mol

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SpectraBase Spectrum ID	AbEwLWE2IHY
Name	L-7-{2-[(beta-HYDROXY-alpha-METHYLPHENETHYL)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	C18H24ClN5O3
InChI	InChI=1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H
InChIKey	UTTZHZDGHMJDPM-UHFFFAOYSA-N
Literature Reference	CHEM. ZEIT. 96, 424(1972) J. CHEM. SOC. PERKIN TRANS. II, 324(1977)
Melting Point	244-246C (dec.)
Molecular Weight	393.872009
Synonyms	THEOPHYLLINE, 7-/2-//B-HYDROXY- A-METHYLPHENETHYL/AMINO/ETHYL/-, MONO- HYDROCHLORIDE, L-,
Technique	KBr WAFER