DIPHENHYDRAMINE CITRATE

Search structure
Status: Approved (2005)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4OD433S209
Parent Compound: DIPHENHYDRAMINE

Structure
InChI Key SPCKHVPPRJWQRZ-UHFFFAOYSA-N
Smile 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
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

Related Entries

Parent
Mixture

Cross References

Resources Reference
ChEMBL CHEMBL1201089
EPA CompTox DTXSID80237211
FDA SRS 4OD433S209
PubChem 174697
SureChEMBL SCHEMBL322306
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