Structure

InChI Key XAUTYMZTJWXZHZ-UHFFFAOYSA-K
Smile CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3]
InChI
InChI=1S/C13H22N4O3S.C6H8O7.Bi/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10;/h4-5,9,14-15H,6-8,10H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27BiN4O10S
Molecular Weight 712.49
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

Action Mechanism of Action Reference
ANTAGONIST Histamine H2 receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Helicobacter Infections 2 D016481 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2111286
FDA SRS 7AJ51I17KG
PubChem 62984