3-benzoyl-1-{1-[2-(indol-3-yl)ethyl]-4-piperidyl}-1-methylurea, monohydrochloride, hemihydrate

SpectraBase Compound ID	LhL4AfEu8sr
InChI	InChI=1S/C24H28N4O2.ClH.H2O/c1-27(24(30)26-23(29)18-7-3-2-4-8-18)20-12-15-28(16-13-20)14-11-19-17-25-22-10-6-5-9-21(19)22;;/h2-10,17,20,25H,11-16H2,1H3,(H,26,29,30);1H;1H2
InChIKey	PEPKYPWTLPKFMO-UHFFFAOYSA-N Google Search
Mol Weight	449.983 g/mol
Molecular Formula	C24H29ClN4O2·½H2O
Exact Mass	449.203186 g/mol

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SpectraBase Spectrum ID	6zeqg2T4eJi
Name	3-BENZOYL-1-{1-[2-(INDOL-3-YL)ETHYL]-4-PIPERIDYL}-1-METHYLUREA, MONOHYDROCHLORIDE, HEMIHYDRATE
Source of Sample	J. L. Archibald, Wyeth Laboratories, Berkshire, England
Copyright	Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H60Cl2N8O5
InChI	InChI=1S/C24H28N4O2.ClH.H2O/c1-27(24(30)26-23(29)18-7-3-2-4-8-18)20-12-15-28(16-13-20)14-11-19-17-25-22-10-6-5-9-21(19)22;;/h2-10,17,20,25H,11-16H2,1H3,(H,26,29,30);1H;1H2
InChIKey	PEPKYPWTLPKFMO-UHFFFAOYSA-N
Literature Reference	J. MED. CHEM. 23, 857(1980) Abstract-Chemical Abstracts= 93, 106809(1980)
Melting Point	224-225C
Molecular Weight	899.958984
Synonyms	UREA, 3-BENZOYL-1-/1-/2-/INDOL- 3-YL/ETHYL/-4-PIPERIDYL/-1-METHYL-, MONOHYDROCHLORIDE, HEMIHYDRATE
Technique	KBr WAFER