7-{3-[(b,3,5-trihydroxyphenethyl)amino]propyl}theophylline, monohydrochloride

SpectraBase Compound ID	CNjf5G5Eg4W
InChI	InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H
InChIKey	XSFWDHONRBZVEJ-UHFFFAOYSA-N Google Search
Mol Weight	425.87 g/mol
Molecular Formula	C18H24ClN5O5
Exact Mass	425.146597 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	LqrDJRXM80c
Name	7-{3-[(beta,3,5-TRIHYDROXYPHENETHYL)AMINO]PROPYL}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	C18H24ClN5O5
InChI	InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H
InChIKey	XSFWDHONRBZVEJ-UHFFFAOYSA-N
Literature Reference	ARZNEIM.-FORSCH. (DRUG-RES.) 27, 4(1977)
Melting Point	249-250C
Molecular Weight	425.869995
Synonyms	BRONCHOSPASMIN REPROTEROL THEOPHYLLINE, 7-/3-//B,3,5-TRI- HYDROXYPHENETHYL/AMINO/PROPYL/-, MONO- HYDROCHLORIDE
Technique	KBr WAFER