7-(2,3-dihydroxypropyl)theophylline, bis[(p-chlorophenoxy)acetate]

SpectraBase Compound ID	EFg7STtkkQV
InChI	InChI=1S/C26H24Cl2N4O8/c1-30-24-23(25(35)31(2)26(30)36)32(15-29-24)11-20(40-22(34)14-38-19-9-5-17(28)6-10-19)12-39-21(33)13-37-18-7-3-16(27)4-8-18/h3-10,15,20H,11-14H2,1-2H3
InChIKey	MASPOVFZXOCNOE-UHFFFAOYSA-N Google Search
Mol Weight	591.4 g/mol
Molecular Formula	C26H24Cl2N4O8
Exact Mass	590.097119 g/mol

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SpectraBase Spectrum ID	JaBeCTCW27J
Name	7-(2,3-DIHYDROXYPROPYL)THEOPHYLLINE, BIS[(p-CHLOROPHENOXY)ACETATE]
Source of Sample	G. Metz, Merckle GmbH, Blaubeuren, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H24Cl2N4O8
InChI	InChI=1S/C26H24Cl2N4O8/c1-30-24-23(25(35)31(2)26(30)36)32(15-29-24)11-20(40-22(34)14-38-19-9-5-17(28)6-10-19)12-39-21(33)13-37-18-7-3-16(27)4-8-18/h3-10,15,20H,11-14H2,1-2H3
InChIKey	MASPOVFZXOCNOE-UHFFFAOYSA-N
Literature Reference	Abstract-Chemical Abstracts= 84, 83991(1976)
Melting Point	149-150C
Molecular Weight	591.398010
Synonyms	THEOPHYLLINE, 7-/2,3-DIHYDROXY- PROPYL/-, BIS//P-CHLOROPHENOXY/ACETATE/
Technique	KBr WAFER