FEXOFENADINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 2S068B75ZU
Parent Compound: FEXOFENADINE

Structure
InChI Key RRJFVPUCXDGFJB-UHFFFAOYSA-N
Smile CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
InChI
InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H40ClNO4
Molecular Weight 538.13
AlogP 5.51
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 81.0
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials
Kidney Calculi 2 D007669 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
30.67
Injury, poisoning and procedural complications
11.16
Nervous system disorders
10.8
Psychiatric disorders
7.48
Respiratory, thoracic and mediastinal disorders
7.39
Gastrointestinal disorders
6.83
Skin and subcutaneous tissue disorders
3.69
Cardiac disorders
3.42
Product issues
3.38
Immune system disorders
2.72
Vascular disorders
2.7
Eye disorders
2.06

Cross References

Resources Reference
ChEBI 5051
ChEMBL CHEMBL1200618
EPA CompTox DTXSID5048716
FDA SRS 2S068B75ZU
Guide to Pharmacology 4819
KEGG C06999
PubChem 63002
SureChEMBL SCHEMBL40914
ZINC ZINC03872566
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