DIPHENHYDRAMINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1946)
Entry Type: Small molecule
Molecule Category: Salt
UNII: TC2D6JAD40
Parent Compound: DIPHENHYDRAMINE

Structure
InChI Key PCHPORCSPXIHLZ-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 19.84
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -44.78-2.69
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 87.5

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 4 D006255 ClinicalTrials
Lupus Erythematosus, Systemic 3 D008180 ClinicalTrials
Diabetic Neuropathies 2 D003929 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Lupus Nephritis 2 D008181 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials

Related Entries

Parent
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
19.39
Psychiatric disorders
15.3
General disorders and administration site conditions
13.18
Nervous system disorders
12.72
Cardiac disorders
6.14
Respiratory, thoracic and mediastinal disorders
4.68
Investigations
4.52
Immune system disorders
4.5
Vascular disorders
4.2
Gastrointestinal disorders
3.24
Skin and subcutaneous tissue disorders
2.95
Musculoskeletal and connective tissue disorders
2.39

Cross References

Resources Reference
ChEBI 4637
ChEMBL CHEMBL1620
EPA CompTox DTXSID4020537
FDA SRS TC2D6JAD40
KEGG C07784
PubChem 43833360
SureChEMBL SCHEMBL3008185
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