For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-benzoyl-1-{1-[2-(indol-3-yl)ethyl]-4-piperidyl}-1-methylurea, monohydrochloride, hemihydrate
SpectraBase Compound ID 8XD9KsCZuFj
InChI InChI=1S/2C24H28N4O2.2ClH.H2O/c2*1-27(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*2-10,17,20,25H,11-16H2,1H3,(H,26,29,30);2*1H;1H2
InChIKey NLQXMRJBINMCSZ-UHFFFAOYSA-N
Mol Weight 449.983 g/mol
Molecular Formula C24H29ClN4O2·½H2O
Exact Mass 449.203186 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H60Cl2N8O5
InChI InChI=1S/2C24H28N4O2.2ClH.H2O/c2*1-27(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*2-10,17,20,25H,11-16H2,1H3,(H,26,29,30);2*1H;1H2
InChIKey NLQXMRJBINMCSZ-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