Structure

InChI Key GGWBHVILAJZWKJ-UHFFFAOYSA-N
Smiles CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl
InChI
InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H23ClN4O3S
Molecular Weight 350.87
AlogP 1.46
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 83.58
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Histamine H2 receptor antagonist ANTAGONIST FDA

Target Conservation

Protein: Histamine H2 receptor

Description: Histamine H2 receptor

Organism : Homo sapiens

P25021 ENSG00000113749

Cross References

Resources Reference
ChEMBL CHEMBL2110372
FDA SRS BK76465IHM
PubChem 47909