Structure

InChI Key DJSLTDBPKHORNY-XMMWENQYSA-N
Smile CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O
InChI
InChI=1S/C23H24N2O4S.CH4O3S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27;1-5(2,3)4/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29);1H3,(H,2,3,4)/b18-12+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N2O7S2
Molecular Weight 520.63
AlogP 4.74
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 92.42
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Type-1 angiotensin II receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Essential Hypertension 3 D000075222 ClinicalTrials

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
14.07
General disorders and administration site conditions
10.12
Musculoskeletal and connective tissue disorders
7.9
Nervous system disorders
7.65
Injury, poisoning and procedural complications
7.16
Skin and subcutaneous tissue disorders
7.16
Respiratory, thoracic and mediastinal disorders
6.17
Metabolism and nutrition disorders
5.93
Renal and urinary disorders
5.19
Cardiac disorders
4.94
Investigations
4.2
Pregnancy, puerperium and perinatal conditions
3.7
Congenital, familial and genetic disorders
2.96
Vascular disorders
2.96
Immune system disorders
2.72
Psychiatric disorders
2.22

Cross References

Resources Reference
ChEBI 48409
ChEMBL CHEMBL1200987
EPA CompTox DTXSID7044217
FDA SRS 8N2L1NX8S3
KEGG C07467
PubChem 5282474
SureChEMBL SCHEMBL41396
ZINC ZINC29319828