Structure

InChI Key UCTWMZQNUQWSLP-VIFPVBQESA-N
Smile CNC[C@H](O)c1ccc(O)c(O)c1
InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO3
Molecular Weight 183.21
AlogP 0.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adrenergic receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hemorrhage 4 D006470 ClinicalTrials
Heart Arrest 4 D006323 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Pulpitis 3 D011671 ClinicalTrials
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Bronchiolitis 3 D001988 ClinicalTrials
Gastrointestinal Hemorrhage 3 D006471 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Myoma 3 D009214 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Appendicitis 2 D001064 ClinicalTrials
Death, Sudden, Cardiac 2 D016757 ClinicalTrials
Wounds and Injuries 2 D014947 ClinicalTrials
Rotator Cuff Injuries 2 D000070636 ClinicalTrials
Hypospadias 2 D007021 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials
Hemoptysis 2 D006469 ClinicalTrials
Shock 2 D012769 ClinicalTrials
Ventricular Fibrillation 2 D014693 ClinicalTrials
Acute Lung Injury 2 D055371 ClinicalTrials
Tachycardia, Ventricular 2 D017180 ClinicalTrials
Infections 1 D007239 ClinicalTrials
Diabetes Mellitus 0 D003920 ClinicalTrials
Parathyroid Neoplasms 0 D010282 ClinicalTrials
Depressive Disorder 0 D003866 ClinicalTrials
Skin Neoplasms 0 D012878 ClinicalTrials

Related Entries

MCS

Salt
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
19.96
General disorders and administration site conditions
18.55
Cardiac disorders
9.79
Product issues
9.72
Vascular disorders
9.22
Nervous system disorders
5.66
Immune system disorders
5.18
Skin and subcutaneous tissue disorders
5.0
Investigations
3.83
Respiratory, thoracic and mediastinal disorders
3.73

Cross References

Resources Reference
CAS NUMBER 51-43-4
ChEBI 28918
ChEMBL CHEMBL679
DrugBank DB00668
DrugCentral 1028
EPA CompTox DTXSID5022986
FDA SRS YKH834O4BH
Human Metabolome Database HMDB0000068
Guide to Pharmacology 479
KEGG C00788
PDB ALE
PharmGKB PA449470
PubChem 5816
SureChEMBL SCHEMBL3814
ZINC ZINC000000039089