bromodiphenhydramine   Click here for help

GtoPdb Ligand ID: 7132

Synonyms: Ambodryl®
Approved drug
bromodiphenhydramine is an approved drug
Compound class: Synthetic organic
Comment: Bromazine (bromodiphenhydramine) is an antihistamine. This drug also has antimicrobial action but is known to cause drowsiness. The only information regarding approval for clinical use of this drug on the US FDA website is in a drug combination with codeine. Other national approval agencies may have granted marketing authorisation.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 333.07
XLogP 3.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCOC(c1ccc(cc1)Br)c1ccccc1)C
Isomeric SMILES CN(CCOC(c1ccc(cc1)Br)c1ccccc1)C
InChI InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
InChI Key NUNIWXHYABYXKF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
{2-[(4-bromophenyl)(phenyl)methoxy]ethyl}dimethylamine
International Nonproprietary Names Click here for help
INN number INN
336 bromazine
Synonyms Click here for help
Ambodryl®
Database Links Click here for help
CAS Registry No. 118-23-0
ChEMBL Ligand CHEMBL1201245
DrugBank Ligand DB01237
DrugCentral Ligand 404
GtoPdb PubChem SID 178103708
PubChem CID 2444
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Wikipedia Bromazine