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

*Links on SpectraBase are not permalinks.

3,4,5-trimethoxybenzoic acid, 2-{4-[2-(2-chlorophenothiazin-10-yl)-1-methylethyl]-1-piperazinyl}ethyl ester, fumarate(1:2)

Compound with spectra: 1 NMR, and 1 FTIR

3,4,5-trimethoxybenzoic acid, 2-{4-[2-(2-chlorophenothiazin-10-yl)-1-methylethyl]-1-piperazinyl}ethyl ester, fumarate(1:2)
SpectraBase Compound ID Il2NjiF9F06
InChI InChI=1S/C31H36ClN3O5S.2C4H4O4/c1-21(20-35-24-7-5-6-8-28(24)41-29-10-9-23(32)19-25(29)35)34-13-11-33(12-14-34)15-16-40-31(36)22-17-26(37-2)30(39-4)27(18-22)38-3;2*5-3(6)1-2-4(7)8/h5-10,17-19,21H,11-16,20H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey ZLQQKEWTEDCLKQ-LVEZLNDCSA-N
Mol Weight 830.3 g/mol
Molecular Formula C39H44ClN3O13S
Exact Mass 829.228337 g/mol
Parent InChIKey NYDGBTCXTKAFNE-UHFFFAOYSA-N

View Spectrum of 3,4,5-trimethoxybenzoic acid, 2-{4-[2-(2-chlorophenothiazin-10-yl)-1-methylethyl]-1-piperazinyl}ethyl ester, fumarate(1:2)

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol

View Spectrum of 3,4,5-trimethoxybenzoic acid, 2-{4-[2-(2-chlorophenothiazin-10-yl)-1-methylethyl]-1-piperazinyl}ethyl ester, fumarate(1:2)

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample L. Toldy, Research Institute For Pharmaceutical Chemistry, Budapest, Hunagry
Technique KBr WAFER
  • 3,4,5-TRIMETHOXYBENZOIC ACID, 2-{4-[2-(2-CHLOROPHENOTHIAZIN-10-YL)-1-METHYLETHYL]-1-PIPERAZINYL}ETHYL ESTER, DIFUMARATE
  • 1-PIPERAZINEETHANOL, 4-/2-/2-CHLORO- PHENOTHIAZIN-10-YL/-1-METHYLETHYL/-, 3,4,5-TRIMETHOXYBENZOATE /ESTER/, FUMARATE /1.2/
  • BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-/4-/2-/2-CHLOROPHENOTHIAZIN-10-YL/-1- METHYLETHYL/-1-PIPERAZINYL/ETHYL ESTER, FUMARATE /1.2/
Dimetotiazine-M (nor-) AC
Dimetotiazine-M (bis-nor-) AC
2-Chloro-10-[2-(4-morpholinyl)propanoyl]-10H-phenothiazine
10H-Phenothiazine, 2-chloro-10-[2-(4-methyl-1-piperazinyl)-1-oxopropyl]-
10H-phenothiazine, 10-[3-[4-[4-(4-chlorophenyl)-2-thiazolyl]-1-piperazinyl]propyl]-2-(trifluoromethyl)-
10-[3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-4-ium chloride
10H-phenothiazine, 10-[3-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]propyl]-2-(trifluoromethyl)-
2-{[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]sulfanyl}-6-{[(4-methylphenyl)sulfanyl]methyl}-4-pyrimidinol
Thioridazine-M 2AC
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.