1-ADAMANTYL-3-[2-(7-METHOXY-1,2,3,4-TETRAHYDROACRIDIN-9-YL-AMINO)-BUTYL]-THIOUREA-2,3-DIHYDROXYSUCCINATE

SpectraBase Compound ID	XVIR9NR8na
InChI	InChI=1S/C29H40N4OS.C4H6O6/c1-34-22-8-9-26-24(15-22)27(23-6-2-3-7-25(23)32-26)30-10-4-5-11-31-28(35)33-29-16-19-12-20(17-29)14-21(13-19)18-29;5-1(3(7)8)2(6)4(9)10/h8-9,15,19-21H,2-7,10-14,16-18H2,1H3,(H,30,32)(H2,31,33,35);1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-,29-;
InChIKey	BMENSUKKMMRLIN-CKKKLIJOSA-N Google Search
Mol Weight	642.8 g/mol
Molecular Formula	C33H46N4O7S
Exact Mass	642.308721 g/mol

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SpectraBase Spectrum ID	KfG5yEvHLBX
Name	1-ADAMANTYL-3-[2-(7-METHOXY-1,2,3,4-TETRAHYDROACRIDIN-9-YL-AMINO)-BUTYL]-THIOUREA-2,3-DIHYDROXYSUCCINATE
Compound Number	13
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C33H46N4O7S
InChI	InChI=1S/C29H40N4OS.C4H6O6/c1-34-22-8-9-26-24(15-22)27(23-6-2-3-7-25(23)32-26)30-10-4-5-11-31-28(35)33-29-16-19-12-20(17-29)14-21(13-19)18-29;5-1(3(7)8)2(6)4(9)10/h8-9,15,19-21H,2-7,10-14,16-18H2,1H3,(H,30,32)(H2,31,33,35);1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-,29-;
InChIKey	BMENSUKKMMRLIN-CKKKLIJOSA-N
Literature Reference Author	K.SPILOVSKA,J.KORABECNY,J.KRAL,A.HOROVA,K.MUSILEK,O.SOUKUP,L .DRTINOVA,Z.GAZOVA,
Literature Reference Citation	MOLECULES,18,2397(2013)
Literature Reference DOI	10.3390/molecules18022397
Molecular Weight	642.811 g/mol
Solvent	DMSO-D6
Source File Reference	UWBT8825