Structure

InChI Key ZZIZZTHXZRDOFM-XFULWGLBSA-N
Smile CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl
InChI
InChI=1S/C20H28N2O5S.ClH/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);1H/t15-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H29ClN2O5S
Molecular Weight 444.98
AlogP 2.34
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 99.88
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha-1 antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Postoperative Complications 3 D011183 ClinicalTrials
Prostatitis 2 D011472 ClinicalTrials
Urinary Bladder, Neurogenic 2 D001750 ClinicalTrials
Urinary Retention 2 D016055 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
12.82
General disorders and administration site conditions
10.58
Vascular disorders
9.34
Cardiac disorders
7.57
Gastrointestinal disorders
7.54
Renal and urinary disorders
6.83
Injury, poisoning and procedural complications
6.59
Skin and subcutaneous tissue disorders
4.92
Psychiatric disorders
4.49
Respiratory, thoracic and mediastinal disorders
4.25
Investigations
4.1
Eye disorders
3.55
Musculoskeletal and connective tissue disorders
3.39
Reproductive system and breast disorders
2.53
Immune system disorders
2.39
Infections and infestations
2.1

Cross References

Resources Reference
ChEBI 9399
ChEMBL CHEMBL1200914
EPA CompTox DTXSID2046628
FDA SRS 11SV1951MR
PubChem 5362376
SureChEMBL SCHEMBL23428