CAS Registry Number®
112457-95-1
CAS Name
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)
Molecular Formula
C21H29N5O2.C6H8O7
Compound Properties
-
Melting Point (1)
169.5-170 °C
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
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)
InChIKey
InChIKey=DMLGUJHNIWGCKM-UHFFFAOYNA-N
SMILES
C(CC(O)=O)(CC(O)=O)(C(O)=O)O.O=C1C2C(C3CC2CC3)C(=O)N1CCCCN4CCN(CC4)C=5N=CC=CN5
Canonical SMILES
O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C1N(C(=O)C2C1C3CCC2C3)CCCCN4CCN(C5=NC=CC=N5)CC4
Other Names for this Substance
- 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)
- SM 3997
- Tandospirone citrate
- Sediel
