raclopride   Click here for help

GtoPdb Ligand ID: 94

Synonyms: (-)-raclopride | S-(-)-raclopride | S-raclopride
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 61.8
Molecular weight 346.09
XLogP 3.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN1CCCC1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl
Isomeric SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl
InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
InChI Key WAOQONBSWFLFPE-VIFPVBQESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
International Nonproprietary Names Click here for help
INN number INN
5592 raclopride
Synonyms Click here for help
(-)-raclopride | S-(-)-raclopride | S-raclopride
Database Links Click here for help
BindingDB Ligand 50010637
CAS Registry No. 84225-95-6 (source: Scifinder)
ChEMBL Ligand CHEMBL8809
GtoPdb PubChem SID 135650880
PubChem CID 3033769
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Wikipedia Raclopride

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Tocris
Raclopride
Cat. No. 1810