Structure

InChI Key SONNWYBIRXJNDC-VIFPVBQESA-N
Smile CNC[C@H](O)c1cccc(O)c1
InChI
InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO2
Molecular Weight 167.21
AlogP 0.65
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 52.49
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Primary Target
α1A-adrenoceptor
α1B-adrenoceptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiovascular Diseases 4 D002318 ClinicalTrials
Respiratory Tract Infections 3 D012141 ClinicalTrials
Stroke 3 D020521 ClinicalTrials
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Eye Diseases 3 D005128 ClinicalTrials
Hypotension 3 D007022 ClinicalTrials
Common Cold 3 D003139 ClinicalTrials
Fecal Incontinence 3 D005242 ClinicalTrials
Influenza, Human 3 D007251 ClinicalTrials
Ischemic Stroke 3 D000083242 ClinicalTrials
Mydriasis 2 D015878 ClinicalTrials
Bronchiolitis 2 D001988 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Acute Lung Injury 2 D055371 ClinicalTrials
Stress Disorders, Post-Traumatic 2 D013313 ClinicalTrials
Shock, Septic 2 D012772 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials
Stomatitis 1 D013280 ClinicalTrials
Orthostatic Intolerance 1 D054971 ClinicalTrials
Mucositis 1 D052016 ClinicalTrials
Pain 1 D010146 ClinicalTrials
Ovarian Cysts 1 D010048 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Infections 1 D007239 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials
Vascular Diseases 0 D014652 ClinicalTrials
Obesity 0 D009765 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 59-42-7
ChEBI 8093
ChEMBL CHEMBL1215
DrugBank DB00388
DrugCentral 2146
EPA CompTox DTXSID9023465
FDA SRS 1WS297W6MV
Human Metabolome Database HMDB0002182
Guide to Pharmacology 485
KEGG C07441
PharmGKB PA450935
PubChem 6041
SureChEMBL SCHEMBL4711
ZINC ZINC000000113355