Structure

InChI Key VHKVKWTWHZUFIA-DGOKBZBKSA-N
Smile C[C@H](N)Cc1ccccc1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
InChI
InChI=1S/C9H13N.C6H10O8/c1-8(10)7-9-5-3-2-4-6-9;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2-6,8H,7,10H2,1H3;1-4,7-10H,(H,11,12)(H,13,14)/t8-;1-,2-,3-,4+/m00/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO8
Molecular Weight 345.35
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
RELEASING AGENT Dopamine transporter releasing agent PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEMBL CHEMBL3989844
EPA CompTox DTXSID20184134
FDA SRS 283TUU52FG
PubChem 73415781
SureChEMBL SCHEMBL578987