METHAPYRILENE FUMARATE

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Synonyms
Status
Molecule Category Mixture
UNII KJ5I25TXYL
EPA CompTox DTXSID0047404

Structure

InChI Key OLGIEIJNOQGBSS-VQYXCCSOSA-N
Smiles CN(C)CCN(Cc1cccs1)c1ccccn1.CN(C)CCN(Cc1cccs1)c1ccccn1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C14H19N3S.3C4H4O4/c2*1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;3*5-3(6)1-2-4(7)8/h2*3-8,11H,9-10,12H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H50N6O12S2
Molecular Weight 871.0
AlogP 2.71
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 19.37
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed PubMed PubMed

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL3187246
FDA SRS KJ5I25TXYL
PubChem 6436730
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