Structure

InChI Key YLXIPWWIOISBDD-FVGYRXGTSA-N
Smile CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C9H13NO3.C4H6O6/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-1(3(7)8)2(6)4(9)10/h2-4,9-13H,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19NO9
Molecular Weight 333.29
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

Related Entries

Parent
Mixture
Mixture
Mixture
Mixture
Mixture

Cross References

Resources Reference
ChEMBL CHEMBL1256958
FDA SRS 30Q7KI53AK
PubChem 5815
SureChEMBL SCHEMBL597216