BROMPHENIRAMINE MALEATE

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Trade Names:
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: Parent
UNII: IXA7C9ZN03

Structure
InChI Key SRGKFVAASLQVBO-BTJKTKAUSA-N
Smile CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C16H19BrN2.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 C20H23BrN2O4
Molecular Weight 435.32
AlogP 3.93
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypersensitivity 4 D006967 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture
Mixture

Cross References

Resources Reference
ChEBI 3184
ChEMBL CHEMBL1200961
EPA CompTox DTXSID2052657
FDA SRS IXA7C9ZN03
PubChem 5281067
SureChEMBL SCHEMBL41913
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