Account (3aR,4S,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
- Catalog No. :
- ACOUBP125
- CAS No. :
- 112457-95-1
- Molecular Formula :
- C27H37N5O9
- Molecular Weight :
- 575.62
IUPAC Name:(3aR,4S,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
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Product Information
| Product Name | (3aR,4S,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 |
|---|---|
| IUPAC Name | (3aR,4S,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 |
| Molecular Formula | C27H37N5O9 |
| Molecular Weight | 575.62 |
| SMILES | O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1CCCCN1CCN(C2=NC=CC=N2)CC1 |
| InChI Key | DMLGUJHNIWGCKM-DPFKZJTMSA-N |
| Synonym | 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aa,4b,7b,7aa)-, 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]-, (3aR,4S,7R,7aS)-rel-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9CI);SM 3997;tandospirone citrate;(3aα,4β,7β,7aα)-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione·citric acid;Methanospirone;Tandopsirone citrate;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 |
Synthetic Route by SureRoute
2. ACOUBP125 Molecular Building Block Synthetic Route
(3aR,4S,7R,7aS)-2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Tandospirone HCl
rel-(3aR,4R,7S,7aS)-2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione