Structure

InChI Key VENXSELNXQXCNT-YDYUUSCQSA-N
Smile C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19NO8
Molecular Weight 317.29
AlogP 0.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adrenergic receptor alpha-1 agonist PubMed

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2062262
FDA SRS ZC4202M9P3
PubChem 441414
SureChEMBL SCHEMBL5564262