Synonyms: | |
Status: | Approved (1954) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C01CA09 |
UNII: | 818U2PZ2EH |
InChI Key | WXFIGDLSSYIKKV-RCOVLWMOSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C9H13NO2 |
Molecular Weight | 167.21 |
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 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pre-Eclampsia | 3 | D011225 | ClinicalTrials |
Hypotension | 2 | D007022 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 54-49-9 |
ChEBI | 6794 |
ChEMBL | CHEMBL1201319 |
DrugBank | DB00610 |
DrugCentral | 1721 |
EPA CompTox | DTXSID8023268 |
FDA SRS | 818U2PZ2EH |
Human Metabolome Database | HMDB0014748 |
Guide to Pharmacology | 7229 |
KEGG | C07146 |
PharmGKB | PA164748761 |
PubChem | 5906 |
SureChEMBL | SCHEMBL136778 |
ZINC | ZINC000000001695 |