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;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	ZLQQKEWTEDCLKQ-LVEZLNDCSA-N Google Search
Mol Weight	830.3 g/mol
Molecular Formula	C39H44ClN3O13S
Exact Mass	829.228337 g/mol

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SpectraBase Spectrum ID	IJwaQ99GywJ
Name	3,4,5-TRIMETHOXYBENZOIC ACID, 2-{4-[2-(2-CHLOROPHENOTHIAZIN-10-YL)-1-METHYLETHYL]-1-PIPERAZINYL}ETHYL ESTER, DIFUMARATE
Source of Sample	L. Toldy, Research Institute For Pharmaceutical Chemistry, Budapest, Hunagry
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C39H44ClN3O13S
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;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	ZLQQKEWTEDCLKQ-LVEZLNDCSA-N
Literature Reference	Abstract-Chemical Abstracts= 63, 14853(1965)
Melting Point	215-217C
Molecular Weight	830.299011
Synonyms	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/
Technique	KBr WAFER