CLEMASTINE FUMARATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 19259EGQ3D
EPA CompTox DTXSID6047785

Structure

InChI Key PMGQWSIVQFOFOQ-YKVZVUFRSA-N
Smiles CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30ClNO5
Molecular Weight 459.97
AlogP 5.1
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 24.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST ISBN

Target Conservation

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

Cross References

Resources Reference
ChEBI 3739
ChEMBL CHEMBL1200795
FDA SRS 19259EGQ3D
PubChem 5281069
SureChEMBL SCHEMBL33403
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