Structure

InChI Key WNPNNLQNNJQYFA-QRPNPIFTSA-N
Smile NC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C8H11NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19NO10
Molecular Weight 337.28
AlogP 0.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 86.71
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adrenergic receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Lung Injury 2 D055371 ClinicalTrials
Ischemic Stroke 2 D000083242 ClinicalTrials
Cardiovascular Diseases 1 D002318 ClinicalTrials
Renal Insufficiency 0 D051437 ClinicalTrials

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
19.16
Cardiac disorders
15.27
General disorders and administration site conditions
13.0
Injury, poisoning and procedural complications
9.2
Nervous system disorders
5.91
Investigations
5.74
Respiratory, thoracic and mediastinal disorders
4.47
Metabolism and nutrition disorders
4.3
Infections and infestations
3.63
Skin and subcutaneous tissue disorders
2.87
Renal and urinary disorders
2.36

Cross References

Resources Reference
ChEBI 33569
ChEMBL CHEMBL1434513
FDA SRS IFY5PE3ZRW
Guide to Pharmacology 505
KEGG C00547
PDB LT4
PubChem 3047796
ZINC ZINC00057624