1-(CARBOXYMETHYL)PYRIDINIUM CHLORIDE, {p-[2-(5-NITRO-1-VINYLIMIDAZOL-2-YL)VINYL]BENZYLIDENE}HYDRAZIDE, DIHYDRATE

SpectraBase Compound ID	5ztDsFwMkDL
InChI	InChI=1S/C21H18N6O3.ClH.2H2O/c1-2-26-19(22-15-21(26)27(29)30)11-10-17-6-8-18(9-7-17)14-23-24-20(28)16-25-12-4-3-5-13-25;;;/h2-15H,1,16H2;1H;2*1H2
InChIKey	YEXRWIZZVLPFMU-UHFFFAOYSA-N Google Search
Mol Weight	474.91 g/mol
Molecular Formula	C21H23ClN6O5
Exact Mass	474.141846 g/mol

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SpectraBase Spectrum ID	4gYWBe1hDU2
Name	1-(CARBOXYMETHYL)PYRIDINIUM CHLORIDE, {p-[2-(5-NITRO-1-VINYLIMIDAZOL-2-YL)VINYL]BENZYLIDENE}HYDRAZIDE, DIHYDRATE
Source of Sample	W. Ross & W. Jamieson, Lilly Research Centre Ltd., Windlesham, Surrey, England
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H23ClN6O5
InChI	InChI=1S/C21H18N6O3.ClH.2H2O/c1-2-26-19(22-15-21(26)27(29)30)11-10-17-6-8-18(9-7-17)14-23-24-20(28)16-25-12-4-3-5-13-25;;;/h2-15H,1,16H2;1H;2*1H2
InChIKey	YEXRWIZZVLPFMU-UHFFFAOYSA-N
Literature Reference	J. MED. CHEM. 18, 158(1975)
Melting Point	274-276C
Molecular Weight	474.902008
Synonyms	PYRIDINIUM CHLORIDE, 1-/CARBOXY- METHYL/-, /P-/2-/5-NITRO-1-VINYL- IMIDAZOL-2-YL/VINYL/BENZYLIDENE/- HYDRAZIDE, DIHYDRATE
Technique	KBr WAFER