renzapride   Click here for help

GtoPdb Ligand ID: 244

Synonyms: BRL 24924 | BRL-24924
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 67.59
Molecular weight 323.14
XLogP 1.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(N)c(cc1C(=O)NC1CCN2CC1CCC2)Cl
Isomeric SMILES COc1cc(N)c(cc1C(=O)N[C@H]1CCN2C[C@@H]1CCC2)Cl
InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
InChI Key GZSKEXSLDPEFPT-HZMBPMFUSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-amino-N-[(5S,6S)-1-azabicyclo[3.3.1]nonan-6-yl]-5-chloro-2-methoxybenzamide
International Nonproprietary Names Click here for help
INN number INN
6402 renzapride
Synonyms Click here for help
BRL 24924 | BRL-24924
Database Links Click here for help
CAS Registry No. 112727-80-7 (source: Scifinder)
GtoPdb PubChem SID 135650894
PubChem CID 3086547
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Wikipedia Renzapride