Synonyms: | |
Status: | Approved (1993) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | N06DA01 |
UNII: | 4VX7YNB537 |
InChI Key | YLJREFDVOIBQDA-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C13H14N2 |
Molecular Weight | 198.27 |
AlogP | 2.7 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 38.91 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 15.0 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 45980 |
ChEMBL | CHEMBL95 |
DrugBank | DB00382 |
DrugCentral | 2551 |
EPA CompTox | DTXSID1037272 |
FDA SRS | 4VX7YNB537 |
Human Metabolome Database | HMDB0014526 |
Guide to Pharmacology | 6687 |
KEGG | C01453 |
PDB | THA |
PharmGKB | PA451576 |
PubChem | 1935 |
SureChEMBL | SCHEMBL2828 |
ZINC | ZINC000019014866 |