7-[3-(DIISOBUTYLAMINO)-2-HYDROXYPROPYL]THEOPHYLLINE, BENZOATE

SpectraBase Compound ID	EkhbJ9dFmRL
InChI	InChI=1S/C25H35N5O4/c1-17(2)12-29(13-18(3)4)14-20(34-24(32)19-10-8-7-9-11-19)15-30-16-26-22-21(30)23(31)28(6)25(33)27(22)5/h7-11,16-18,20H,12-15H2,1-6H3
InChIKey	SQBWCQROZHGTAU-UHFFFAOYSA-N Google Search
Mol Weight	469.6 g/mol
Molecular Formula	C25H35N5O4
Exact Mass	469.268905 g/mol

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SpectraBase Spectrum ID	8HjjtXh80sS
Name	7-[3-(DIISOBUTYLAMINO)-2-HYDROXYPROPYL]THEOPHYLLINE, BENZOATE
Source of Sample	H. Fukuda, Nippon Shin-Yaku Company, Ltd., Kyoto, Japan
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H35N5O4
InChI	InChI=1S/C25H35N5O4/c1-17(2)12-29(13-18(3)4)14-20(34-24(32)19-10-8-7-9-11-19)15-30-16-26-22-21(30)23(31)28(6)25(33)27(22)5/h7-11,16-18,20H,12-15H2,1-6H3
InChIKey	SQBWCQROZHGTAU-UHFFFAOYSA-N
Literature Reference	Abstract-Chemical Abstracts= 60, 4140(1964)
Melting Point	104C
Molecular Weight	469.585999
Synonyms	THEOPHYLLINE, 7-/3-/DIISOBUTYL- AMINO/-2-HYDROXYPROPYL/-, BENZOATE
Technique	KBr WAFER