3,4,5-TRIMETHOXYBENZOIC ACID, 2-{4-[2-(2-METHOXYPHENOTHIAZIN-10-YL)-1-METHYLETHYL-1-PIPERAZINYL}ETHYL ESTER, DIFUMARATE

SpectraBase Compound ID	DUc3Xf5b7ZO
InChI	InChI=1S/C32H39N3O6S.2C4H4O4/c1-22(21-35-25-8-6-7-9-29(25)42-30-11-10-24(37-2)20-26(30)35)34-14-12-33(13-15-34)16-17-41-32(36)23-18-27(38-3)31(40-5)28(19-23)39-4;25-3(6)1-2-4(7)8/h6-11,18-20,22H,12-17,21H2,1-5H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey	HZCDJCVBAPBBGU-LVEZLNDCSA-N Google Search
Mol Weight	825.88 g/mol
Molecular Formula	C40H47N3O14S
Exact Mass	825.277874 g/mol

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SpectraBase Spectrum ID	3LOdkXHqcA1
Name	3,4,5-TRIMETHOXYBENZOIC ACID, 2-{4-[2-(2-METHOXYPHENOTHIAZIN-10-YL)-1-METHYLETHYL-1-PIPERAZINYL}ETHYL ESTER, 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	C40H47N3O14S
InChI	InChI=1S/C32H39N3O6S.2C4H4O4/c1-22(21-35-25-8-6-7-9-29(25)42-30-11-10-24(37-2)20-26(30)35)34-14-12-33(13-15-34)16-17-41-32(36)23-18-27(38-3)31(40-5)28(19-23)39-4;25-3(6)1-2-4(7)8/h6-11,18-20,22H,12-17,21H2,1-5H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey	HZCDJCVBAPBBGU-LVEZLNDCSA-N
Literature Reference	Abstract-Chemical Abstracts= 63, 14853(1965)
Melting Point	191-193C
Molecular Weight	825.882996
Synonyms	1-PIPERAZINEETHANOL, 4-/2-/2-METHOXY- PHENOTHIAZIN-10-YL/-1-METHYLETHYL/-, 3,4,5-TRIMETHOXYBENZOATE /ESTER/, FUMARATE /1.2/ BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-/4-/2-/2-METHOXYPHENOTHIAZIN-10-YL/- 1-METHYLETHYL/-1-PIPERAZINYL/ETHYL ESTER, FUMARATE /1.2/
Technique	KBr WAFER