CHLORPHENIRAMINE MALEATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1950)
Entry Type: Small molecule
Molecule Category: Parent
UNII: V1Q0O9OJ9Z

Structure
InChI Key DBAKFASWICGISY-BTJKTKAUSA-N
Smile CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23ClN2O4
Molecular Weight 390.87
AlogP 3.82
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 0-12 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Sunburn 2 D013471 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture
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Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
22.53
General disorders and administration site conditions
16.68
Nervous system disorders
11.18
Psychiatric disorders
9.61
Skin and subcutaneous tissue disorders
5.59
Gastrointestinal disorders
5.24
Vascular disorders
5.24
Cardiac disorders
4.54
Respiratory, thoracic and mediastinal disorders
4.19
Musculoskeletal and connective tissue disorders
4.1
Immune system disorders
3.58
Investigations
2.53

Cross References

Resources Reference
ChEBI 3645
ChEMBL CHEMBL1659
EPA CompTox DTXSID4020321
FDA SRS V1Q0O9OJ9Z
KEGG C07780
PubChem 5281068
SureChEMBL SCHEMBL33357
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