Structure

InChI Key CJCSPKMFHVPWAR-JTQLQIEISA-N
Smile C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
InChI
InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13NO4
Molecular Weight 211.22
AlogP 0.44
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 103.78
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adrenergic receptor alpha-2 agonist FDA PubMed

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pre-Eclampsia 2 D011225 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials

Related Entries

MCS

Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
31.73
Injury, poisoning and procedural complications
12.72
Vascular disorders
6.63
Cardiac disorders
5.7
General disorders and administration site conditions
4.65
Investigations
4.01
Hepatobiliary disorders
3.76
Metabolism and nutrition disorders
3.3
Renal and urinary disorders
3.21
Nervous system disorders
3.17
Gastrointestinal disorders
3.08
Respiratory, thoracic and mediastinal disorders
3.08
Congenital, familial and genetic disorders
2.53
Skin and subcutaneous tissue disorders
2.28

Cross References

Resources Reference
CAS NUMBER 555-30-6
ChEBI 61058
ChEMBL CHEMBL459
DrugBank DB00968
DrugCentral 1762
EPA CompTox DTXSID5023295
FDA SRS M4R0H12F6M
Human Metabolome Database HMDB0011754
Guide to Pharmacology 5217
KEGG C07194
PharmGKB PA450453
PubChem 38852
SureChEMBL SCHEMBL34003
ZINC ZINC000000020255