tandospirone citrate

2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,2S,6R,7S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

CAS: 112457-95-1

Molecular Formula	`C27H37N5O9`
Molecular Weight	575.6 g/mol
Topological Polar Surface Area	202.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	11
Exact Mass	575.25916
Heavy Atoms	41
Complexity	799.0

Chemical Identifiers

CAS Number	112457-95-1
SMILES	`C1CC2CC1C3C2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O`
InChIKey	`DMLGUJHNIWGCKM-DPFKZJTMSA-N`

📖 Product Overview

tandospirone citrate (CAS: 112457-95-1) is a chemical compound with molecular formula C27H37N5O9 and molecular weight 575.6 g/mol. Its IUPAC systematic name is 2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,2S,6R,7S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione. Topological Polar Surface Area 202.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 13 Rotatable Bonds 11 Exact Mass 575.25916 Heavy Atoms 41 Complexity 799.0 InChI Key: DMLGUJHNIWGCKM-DPFKZJTMSA-N. SMILES: C1CC2CC1C3C2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.

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