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

*Links on SpectraBase are not permalinks.
3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{[4-(2-hydroxypropyl)-1-piperazinyl]acetyl}phenothiazine, difumarate
SpectraBase Compound ID JZNWvHYn1MQ
InChI InChI=1S/C31H34ClN3O6S.2C4H4O4/c1-20(41-31(37)21-15-25(38-2)30(40-4)26(16-21)39-3)18-33-11-13-34(14-12-33)19-29(36)35-23-7-5-6-8-27(23)42-28-10-9-22(32)17-24(28)35;2*5-3(6)1-2-4(7)8/h5-10,15-17,20H,11-14,18-19H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey OIIDAMWAOCEYLM-LVEZLNDCSA-N
Mol Weight 844.29 g/mol
Molecular Formula C39H42ClN3O14S
Exact Mass 843.207602 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 DXtTIMQW7m7
Name 3,4,5-TRIMETHOXYBENZOIC ACID, ESTER WITH 2-CHLORO-10-{[4-(2-HYDROXYPROPYL)-1-PIPERAZINYL]ACETYL}PHENOTHIAZINE, DIFUMARATE
Source of Sample L. TOLDY, RESEARCH INSTITUTE FOR PHARMACEUTICAL CHEMISTRY, BUDAPEST, HUNGARY
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H42ClN3O14S
InChI InChI=1S/C31H34ClN3O6S.2C4H4O4/c1-20(41-31(37)21-15-25(38-2)30(40-4)26(16-21)39-3)18-33-11-13-34(14-12-33)19-29(36)35-23-7-5-6-8-27(23)42-28-10-9-22(32)17-24(28)35;2*5-3(6)1-2-4(7)8/h5-10,15-17,20H,11-14,18-19H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey OIIDAMWAOCEYLM-LVEZLNDCSA-N
Literature Reference Abstract-Chemical Abstracts= 63, 14853(1965)
Melting Point 203-205C
Molecular Weight 844.281982
Synonyms 1-PIPERAZINEETHANOL, 4-///2-CHLORO- PHENOTHIAZIN-10-YL/CARBONYL/METHYL/-A- METHYL-, 3,4,5-TRIMETHOXYBENZOATE /ESTER/, FUMARATE /1.2/ BENZOIC ACID, 3,4,5-TRIMETHOXY-, ESTER WITH 2-CHLORO-10-//4-/2-HYDROXY- PROPYL/-1-PIPERAZINYL/ACETYL/PHENO- THIAZINE, FUMARATE /1.2/ 4-([(2-CHLOROPHENOTHIAZIN-10-YL)CARBONYL]METHYL)-alpha-METHYL-1-PIPERAZINEETHANOL, 3,4,5-TRIMETHOXYBENZOATE (ESTER), FUMARATE (1.2)
Technique KBr WAFER