Structure

InChI Key CVKUMNRCIJMVAR-UHFFFAOYSA-N
Smile CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1
InChI
InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClNO6S
Molecular Weight 401.87
AlogP 2.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Dopamine D1 receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Kidney Injury 2 D058186 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 5003
ChEMBL CHEMBL1026
FDA SRS HA3R0MY016
SureChEMBL SCHEMBL41213