diphenhydramine

Ligand id: 1224

Name: diphenhydramine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 255.16
XLogP 5.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1946))
IUPAC Name
2-[di(phenyl)methoxy]-N,N-dimethylethanamine
International Nonproprietary Names
INN number INN
1774 diphenhydramine
Synonyms
Benadryl® | benzhydramine | dimehydrinate
Database Links
BindingDB Ligand 50017674
BitterDB Ligand 61
CAS Registry No. 58-73-1
ChEBI CHEBI:4636
ChEMBL Ligand CHEMBL657
DrugBank Ligand DB01075
GtoPdb PubChem SID 135650192
PubChem CID 3100
RCSB PDB Ligand 2PM
Search Google for chemical match using the InChIKey ZZVUWRFHKOJYTH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZZVUWRFHKOJYTH
Search PubMed clinical trials diphenhydramine
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Search UniChem for chemical match using the InChIKey ZZVUWRFHKOJYTH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZZVUWRFHKOJYTH
Wikipedia Diphenhydramine
Comments
Diphenhydramine has anti-histamine action.