(+)-chlorpheniramine   

GtoPdb Ligand ID: 1210

Synonyms: chlorphenamine
Compound class: Synthetic organic
Comment: A component of the approved drug chlorpheniramine. (+)-chlorpheniramine is the more active isomer.
2D Structure
Click here for structure editor
Physico-chemical Properties
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
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-/m0/s1
InChI Key SOYKEARSMXGVTM-HNNXBMFYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
International Nonproprietary Names
INN number INN
104 chlorphenamine
Synonyms
chlorphenamine
Database Links
CAS Registry No. 25523-97-1
ChEBI CHEBI:4464
ChEMBL Ligand CHEMBL1201353
DrugBank Ligand DB01114
DrugCentral Ligand 4411
GtoPdb PubChem SID 135650087
PubChem CID 33036
Search Google for chemical match using the InChIKey SOYKEARSMXGVTM-HNNXBMFYSA-N
Search Google for chemicals with the same backbone SOYKEARSMXGVTM
Search PubMed clinical trials chlorphenamine
Search PubMed titles chlorphenamine
Search PubMed titles/abstracts chlorphenamine
Search UniChem for chemical match using the InChIKey SOYKEARSMXGVTM-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone SOYKEARSMXGVTM
Wikipedia Chlorphenamine