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erythro-1-{1-[2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl]-4-piperidyl}-3-phenyl-2-thiourea, monohydrochloride
SpectraBase Compound ID ByrGJ4DzLb8
InChI InChI=1S/C22H27N3O3S.ClH/c26-18(21-15-27-19-8-4-5-9-20(19)28-21)14-25-12-10-17(11-13-25)24-22(29)23-16-6-2-1-3-7-16;/h1-9,17-18,21,26H,10-15H2,(H2,23,24,29);1H/t18-,21+;/s2
InChIKey WOWANNSGDRRNBP-JJIPZAHESA-N
Mol Weight 450.0 g/mol
Molecular Formula C22H28ClN3O3S
Exact Mass 449.153991 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4TZKbjzg7bu
Name erythro-1-{1-[2-(1,4-BENZODIOXAN-2-YL)-2-HYDROXYETHYL]-4-PIPERIDYL}-3-PHENYL-2-THIOUREA, MONOHYDROCHLORIDE
Source of Sample J. L. Archibald, Wyeth Laboratories, Berkshire, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28ClN3O3S
InChI InChI=1S/C22H27N3O3S.ClH/c26-18(21-15-27-19-8-4-5-9-20(19)28-21)14-25-12-10-17(11-13-25)24-22(29)23-16-6-2-1-3-7-16;/h1-9,17-18,21,26H,10-15H2,(H2,23,24,29);1H/t18-,21+;/s2
InChIKey WOWANNSGDRRNBP-JJIPZAHESA-N
Literature Reference J. MED. CHEM. 23, 857(1980) Abstract-Chemical Abstracts= 93, 106809(1980)
Melting Point 204-206C
Molecular Weight 449.993988
Synonyms UREA, 1-/1-/2-/1,4-BENZODIOXAN- 2-YL/-2-HYDROXYETHYL/-4-PIPERIDYL/- 3-PHENYL-2-THIO-, MONOHYDROCHLORIDE ERYTHRO-,
Technique KBr WAFER