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   ChemNet > CAS > 112457-95-1 3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate

112457-95-1 3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate

product Name 3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate
CAS No 112457-95-1
Synonyms Tandospirone citrate; SM-3997; Sediel; (1R*,2S*,3R*,4S*)-N-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl]-2,3-norbornanedicarboximide citrate; (3aR,4R,7R,7aS)-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 2-hydroxypropane-1,2,3-tricarboxylate (1:1)
Molecular Formula C27H37N5O9
Molecular Weight 575.6108
InChI InChI=1/C21H29N5O2.C6H8O7/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,6-7,15-18H,1-2,4-5,8-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15-,16-,17-,18+;/m1./s1
Molecular Structure 112457-95-1 3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate
Boiling point 613.9°C at 760 mmHg
Flash point 325.1°C
Vapour Pressur 5.23E-15mmHg at 25°C
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