Structure

InChI Key SRGKFVAASLQVBO-DASCVMRKSA-N
Smiles CN(C)CC[C@@H](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-/t15-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23BrN2O4
Molecular Weight 435.32
AlogP 3.93
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed

Target Conservation

Protein: Histamine H1 receptor

Description: Histamine H1 receptor

Organism : Homo sapiens

P35367 ENSG00000196639

Cross References

Resources Reference
CAS NUMBER 2391-03-9
ChEBI 59273
ChEMBL CHEMBL1200638
FDA SRS BPA9UT29BS
PubChem 6433334
SureChEMBL SCHEMBL217770