CAS 112457-95-1

4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aR,4S,7R,7aS)-rel-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Description:

4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aR,4S,7R,7aS)-rel-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), commonly referred to by its CAS number 112457-95-1, is a complex organic compound characterized by its multi-ring structure and functional groups. This substance features a methano-isoindole core, which is fused with a hexahydro structure, indicating saturation and potential for various stereochemical configurations. The presence of a piperazine moiety suggests potential pharmacological activity, as piperazines are often found in biologically active compounds. Additionally, the inclusion of a pyrimidine ring may enhance its interaction with biological targets, particularly in medicinal chemistry. The tricarboxylate component indicates the presence of multiple carboxylic acid groups, which can influence solubility and reactivity. Overall, this compound's intricate structure and functional diversity suggest potential applications in pharmaceuticals, particularly in the development of therapeutic agents targeting specific biological pathways.

Formula: C₂₁H₂₉N₅O₂·C₆H₈O₇

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-;

InChI key: InChIKey=DMLGUJHNIWGCKM-DPFKZJTMNA-N

SMILES: O=C1[C@]2([C@]([C@]3(C[C@@]2(CC3)[H])[H])(C(=O)N1CCCCN4CCN(CC4)C=5N=CC=CN5)[H])[H].C(CC(O)=O)(CC(O)=O)(C(O)=O)O

Synonyms:

• (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)
• 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aR,4S,7R,7aS)-rel-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
• 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aα,4β,7β,7aα)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
• Sediel
• Sm-3997
• Tandospirone citrate

SM 3997

CAS: 112457-95-1

Formula: C₂₇H₃₇N₅O₉

Purity: 98%

Color and Shape: Solid

Molecular weight: 575.6108

Ref: IN-DA008TJK

Tandospirone citrate

CAS: 112457-95-1

Tandospirone citrate

Purity: ≥95%

Molecular weight: 575.61g/mol

Ref: 54-BUP15075

Tandospirone citrate

CAS: 112457-95-1

Tandospirone citrate (SM-3997 citrate) is a potent and selective 5-HT1A receptor partial agonist (Ki : 27 nM)

Formula: C₂₇H₃₇N₅O₉

Purity: 97.84% - 99.90%

Color and Shape: Solid

Molecular weight: 575.61

Ref: TM-T7412

Tandospirone Citrate

CAS: 112457-95-1

Formula: C₂₁H₂₉N₅O₂C₆H₈O₇

Molecular weight: 383.5 : 192.1

Ref: ST-EA-CP-T119001