3,4,5-trimethoxybenzoic acid, ester with 10-{[4-(2-hydroxyethyl)-1-piperazinyl]acetyl}-2-methoxyphenothiazine, fumarate(1:2)

SpectraBase Compound ID	BZw30aoiNON
InChI	InChI=1S/C31H35N3O7S.2C4H4O4/c1-37-22-9-10-28-24(19-22)34(23-7-5-6-8-27(23)42-28)29(35)20-33-13-11-32(12-14-33)15-16-41-31(36)21-17-25(38-2)30(40-4)26(18-21)39-3;25-3(6)1-2-4(7)8/h5-10,17-19H,11-16,20H2,1-4H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey	HIBCAEVLIJTMKZ-LVEZLNDCSA-N Google Search
Mol Weight	825.84 g/mol
Molecular Formula	C39H43N3O15S
Exact Mass	825.241489 g/mol

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SpectraBase Spectrum ID	JX36C2qVaQ3
Name	3,4,5-TRIMETHOXYBENZOIC ACID, ESTER WITH 10-{[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]ACETYL}-2-METHOXYPHENOTHIAZINE, 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	C39H43N3O15S
InChI	InChI=1S/C31H35N3O7S.2C4H4O4/c1-37-22-9-10-28-24(19-22)34(23-7-5-6-8-27(23)42-28)29(35)20-33-13-11-32(12-14-33)15-16-41-31(36)21-17-25(38-2)30(40-4)26(18-21)39-3;25-3(6)1-2-4(7)8/h5-10,17-19H,11-16,20H2,1-4H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey	HIBCAEVLIJTMKZ-LVEZLNDCSA-N
Literature Reference	Abstract-Chemical Abstracts= 63, 14853(1965)
Melting Point	160-165C
Molecular Weight	825.838989
Synonyms	BENZOIC ACID, 3,4,5-TRIMETHOXY-, ESTER WITH 10-//4-/2-HYDROXYETHYL/-1- PIPERAZINYL/ACETYL/-2-METHOXYPHENO- THIAZINE, FUMARATE /1.2/ 1-PIPERAZINEETHANOL, 4-///2-METHOXY- PHENOTHIAZIN-10-YL/CARBONYL/METHYL/-, 3,4,5-TRIMETHOXYBENZOATE /ESTER/, FUMARATE /1.2/
Technique	KBr WAFER