DIPHENHYDRAMINE CITRATE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII 4OD433S209
EPA CompTox DTXSID80237211
Parent Compound: DIPHENHYDRAMINE

Structure

InChI Key SPCKHVPPRJWQRZ-UHFFFAOYSA-N
Smiles CN(C)CCOC(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C17H21NO.C6H8O7/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,17H,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29NO8
Molecular Weight 447.48
AlogP 3.35
Hydrogen Bond Acceptor 2.0
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

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL1201089
FDA SRS 4OD433S209
PubChem 174697
SureChEMBL SCHEMBL322306
CONTENTS