9-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate

SpectraBase Compound ID	J7V3szJzXAm
InChI	InChI=1S/C16H16FN5O2.C7H8O3S/c1-21-14(18)13-15(20-16(21)24)22(9-19-13)8-2-3-12(23)10-4-6-11(17)7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,9,18H,2-3,8H2,1H3,(H,20,24);2-5H,1H3,(H,8,9,10)
InChIKey	QEYWXKCUPORVJK-UHFFFAOYSA-N Google Search
Mol Weight	501.53 g/mol
Molecular Formula	C23H24FN5O5S
Exact Mass	501.148218 g/mol

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SpectraBase Spectrum ID	4gIl55sjY7S
Name	9-[3-(p-FLUOROBENZOYL)PROPYL]-1-METHYLISOGUANINE, p-TOLUENESULFONATE
Source of Sample	K. Grozinger, Boehringer Ingelheim Ltd., Ridgefield, Connecticut
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H24FN5O5S
InChI	InChI=1S/C16H16FN5O2.C7H8O3S/c1-21-14(18)13-15(20-16(21)24)22(9-19-13)8-2-3-12(23)10-4-6-11(17)7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,9,18H,2-3,8H2,1H3,(H,20,24);2-5H,1H3,(H,8,9,10)
InChIKey	QEYWXKCUPORVJK-UHFFFAOYSA-N
Literature Reference	EUR. J. MED. CHEM. 18, 221(1983) Abstract-Chemical Abstracts= 99, 158109W(1983)
Melting Point	252-254C
Molecular Weight	501.535004
Synonyms	ISOGUANINE, 9-/3-/P-FLUOROBENZOYL/- PROPYL/-1-METHYL-, P-TOLUENESULFONATE
Technique	KBr WAFER