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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
Mol Weight 425.87 g/mol
Molecular Formula C18H24ClN5O5
Exact Mass 425.146597 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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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