brompheniramine   Click here for help

GtoPdb Ligand ID: 7133

Synonyms: Bromfed® | brompheniramine maleate | Dimetapp®
Approved drug
brompheniramine is an approved drug (FDA (1957))
Compound class: Synthetic organic
Comment: Brompheniramine is a racemic mixture of stereoisomers. We show the non-isomeric molecule to represent the mixture. The pharmacologically active isomer is dexbrompheniramine.
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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 318.07
XLogP 3.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCC(c1ccccn1)c1ccc(cc1)Br)C
Isomeric SMILES CN(CCC(c1ccccn1)c1ccc(cc1)Br)C
InChI InChI=1S/C16H19BrN2/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
InChI Key ZDIGNSYAACHWNL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
IUPAC Name Click here for help
[3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]dimethylamine
International Nonproprietary Names Click here for help
INN number INN
770 brompheniramine
Synonyms Click here for help
Bromfed® | brompheniramine maleate | Dimetapp®
Database Links Click here for help
CAS Registry No. 86-22-6
ChEMBL Ligand CHEMBL811
DrugBank Ligand DB00835
DrugCentral Ligand 408
GtoPdb PubChem SID 178103709
PubChem CID 6834
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UniChem Compound Search for chemical match using the InChIKey ZDIGNSYAACHWNL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZDIGNSYAACHWNL-UHFFFAOYSA-N
Wikipedia Brompheniramine