Structure

InChI Key GGWBHVILAJZWKJ-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Histamine H2 receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.18
Gastrointestinal disorders
14.06
Injury, poisoning and procedural complications
10.81
Skin and subcutaneous tissue disorders
7.31
Nervous system disorders
6.81
Respiratory, thoracic and mediastinal disorders
5.79
Immune system disorders
5.47
Vascular disorders
4.84
Cardiac disorders
4.68
Investigations
4.61
Psychiatric disorders
4.0
Musculoskeletal and connective tissue disorders
3.17
Product issues
2.09

Cross References

Resources Reference
ChEMBL CHEMBL2110372
FDA SRS BK76465IHM
PubChem 47909