3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{[4-(3-hydroxypropyl)-1-piperazinyl]acetyl-phenothiazine, fumarate(1:2)

SpectraBase Compound ID	Avva4xnPq3F
InChI	InChI=1S/C31H34ClN3O6S.2C4H4O4/c1-38-25-17-21(18-26(39-2)30(25)40-3)31(37)41-16-6-11-33-12-14-34(15-13-33)20-29(36)35-23-7-4-5-8-27(23)42-28-10-9-22(32)19-24(28)35;25-3(6)1-2-4(7)8/h4-5,7-10,17-19H,6,11-16,20H2,1-3H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey	HEUWCGSGXRAPEB-LVEZLNDCSA-N Google Search
Mol Weight	844.29 g/mol
Molecular Formula	C39H42ClN3O14S
Exact Mass	843.207602 g/mol

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SpectraBase Spectrum ID	2TsrMdiuMPG
Name	3,4,5-TRIMETHOXYBENZOIC ACID, ESTER WITH 2-CHLORO-10-{[4-(3-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/c1-38-25-17-21(18-26(39-2)30(25)40-3)31(37)41-16-6-11-33-12-14-34(15-13-33)20-29(36)35-23-7-4-5-8-27(23)42-28-10-9-22(32)19-24(28)35;25-3(6)1-2-4(7)8/h4-5,7-10,17-19H,6,11-16,20H2,1-3H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey	HEUWCGSGXRAPEB-LVEZLNDCSA-N
Literature Reference	Abstract-Chemical Abstracts= 63, 14853(1965)
Melting Point	205-207C
Molecular Weight	844.281982
Synonyms	1-PIPERAZINEPROPANOL, 4-///2-CHLORO- PHENOTHIAZIN-10-YL/CARBONYL/METHYL/-, 3,4,5-TRIMETHOXYBENZOATE /ESTER/, FUMARATE /1.2/ BENZOIC ACID, 3,4,5-TRIMETHOXY-, ESTER WITH 2-CHLORO-10-//4-/3-HYDROXY- PROPYL/-1-PIPERAZINYL/ACETYL/PHENO- THIAZINE, FUMARATE /1.2/
Technique	KBr WAFER