(-)-chlorpheniramine   Click here for help

GtoPdb Ligand ID: 1213

Compound class: Synthetic organic
Comment: A component of the approved drug Chlorpheniramine
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 16.13
Molecular weight 274.12
XLogP 3.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C
Isomeric SMILES CN(CC[C@@H](c1ccccn1)c1ccc(cc1)Cl)C
InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1
InChI Key SOYKEARSMXGVTM-OAHLLOKOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
International Nonproprietary Names Click here for help
INN number INN
104 chlorphenamine
Database Links Click here for help
CAS Registry No. 132-22-9
ChEBI CHEBI:52013
ChEMBL Ligand CHEMBL1554789
DrugBank Ligand DB01114
GtoPdb PubChem SID 135650086
PubChem CID 716121
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Search PubMed clinical trials chlorphenamine
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Wikipedia Chlorphenamine