DIPHENHYDRAMINE HYDROCHLORIDE


Trade Names	ANTITUSSIVE BELDIN BELIX BENADRYL BENADRYL PRESERVATIVE FREE BENYLIN DIBENIL DIPHEN DIPHENHYDRAMINE HYDROCHLORIDE DIPHENHYDRAMINE HYDROCHLORIDE PRESERVATIVE FREE HYDRAMINE SILPHEN VICKS FORMULA 44
Synonyms	Alledryl Antitussive Beldin Belix Benadryl Benadryl preservative free Benylin Caladryl Coltex Dibenil Dimedrol Diphen Diphenhydramine HCl Diphenhydramine hcl Diphenhydramine hydrochloride Diphenhydramine hydrochloride preservative free Dreemon Dytuss Fedril Gppe cough expect paed Gppe oral soln Histergan Hydramine Medinex NSC-33299 Nightcalm Nytol Nytol one-a-night Paxidorm Silphen Sleepia Syntedril Tixylix catarrh Vicks formula 44
Status
Molecule Category	Salt
UNII	TC2D6JAD40
EPA CompTox	DTXSID4020537
Parent Compound:	DIPHENHYDRAMINE


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	PCHPORCSPXIHLZ-UHFFFAOYSA-N
Smiles	CN(C)CCOC(c1ccccc1)c1ccccc1.Cl
InChI	InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H22ClNO
Molecular Weight	291.82
AlogP	3.35
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	6.0
Polar Surface Area	12.47
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	19.0

Pharmacology

Mechanism of Action	Action	Reference
Histamine H1 receptor antagonist	ANTAGONIST	PubMed PubMed Wikipedia


Protein: Histamine H1 receptor Description: Histamine H1 receptor Organism : Homo sapiens P35367 ENSG00000196639

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	88

Cross References

Resources	Reference
ChEBI	4637
ChEMBL	CHEMBL1620
FDA SRS	TC2D6JAD40
KEGG	C07784
PubChem	8980
SureChEMBL	SCHEMBL17071

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).