Structure

InChI Key WQVZLXWQESQGIF-UHFFFAOYSA-N
Smile CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl
InChI
InChI=1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25ClN2O3
Molecular Weight 364.87
AlogP 2.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 95.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pre-Eclampsia 2 D011225 ClinicalTrials
Cerebral Hemorrhage 2 D002543 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
12.44
General disorders and administration site conditions
12.08
Injury, poisoning and procedural complications
10.88
Vascular disorders
8.9
Cardiac disorders
8.44
Nervous system disorders
8.0
Respiratory, thoracic and mediastinal disorders
5.31
Investigations
5.28
Gastrointestinal disorders
4.54
Skin and subcutaneous tissue disorders
4.33
Psychiatric disorders
4.05
Metabolism and nutrition disorders
2.45
Musculoskeletal and connective tissue disorders
2.04

Cross References

Resources Reference
ChEBI 6344
ChEMBL CHEMBL1200323
EPA CompTox DTXSID0044654
FDA SRS 1GEV3BAW9J
Guide to Pharmacology 7207
KEGG C07063
PubChem 71412
SureChEMBL SCHEMBL41230
ZINC ZINC00403011