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

SpectraBase Compound ID	5sJditGRkMi
InChI	InChI=1S/C32H36ClN3O6S.2C4H4O4/c1-21(42-32(38)22-17-26(39-2)31(41-4)27(18-22)40-3)20-35-15-13-34(14-16-35)12-11-30(37)36-24-7-5-6-8-28(24)43-29-10-9-23(33)19-25(29)36;25-3(6)1-2-4(7)8/h5-10,17-19,21H,11-16,20H2,1-4H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey	NFAWUDMQGLHSIE-LVEZLNDCSA-N Google Search
Mol Weight	858.3 g/mol
Molecular Formula	C40H44ClN3O14S
Exact Mass	857.223252 g/mol

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SpectraBase Spectrum ID	3ZHOplv4rOI
Name	3,4,5-TRIMETHOXYBENZOIC ACID, ESTER WITH 2-CHLORO-10-{3-[4-(2-HYDROXYPROPYL)-1- PIPERAZINYL]PROPIONYL}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	C40H44ClN3O14S
InChI	InChI=1S/C32H36ClN3O6S.2C4H4O4/c1-21(42-32(38)22-17-26(39-2)31(41-4)27(18-22)40-3)20-35-15-13-34(14-16-35)12-11-30(37)36-24-7-5-6-8-28(24)43-29-10-9-23(33)19-25(29)36;25-3(6)1-2-4(7)8/h5-10,17-19,21H,11-16,20H2,1-4H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey	NFAWUDMQGLHSIE-LVEZLNDCSA-N
Literature Reference	Abstract-Chemical Abstracts= 63, 14853(1965)
Melting Point	160-162C
Molecular Weight	858.309021
Synonyms	1-PIPERAZINEETHANOL, 4-/2-//2-CHLORO- PHENOTHIAZIN-10-YL/CARBONYL/ETHYL/-A- METHYL-, 3,4,5-TRIMETHOXYBENZOATE /ESTER/, FUMARATE /1.2/ BENZOIC ACID, 3,4,5-TRIMETHOXY-, ESTER WITH 2-CHLORO-10-/3-/4-/2- HYDROXYPROPYL/-1-PIPERAZINYL/- PROPIONYL/PHENOTHIAZINE, FUMARATE /1.2/
Technique	KBr WAFER