Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | C151H8M554 |
InChI Key | CZMRCDWAGMRECN-UGDNZRGBSA-N |
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Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H22O11 |
Molecular Weight | 342.3 |
AlogP | -5.4 |
Hydrogen Bond Acceptor | 11.0 |
Hydrogen Bond Donor | 8.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 189.53 |
Molecular species | NEUTRAL |
Aromatic Rings | 0.0 |
Heavy Atoms | 23.0 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pain | 3 | D010146 | ClinicalTrials |
Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
Premature Birth | 2 | D047928 | ClinicalTrials |
Hypotension, Orthostatic | 2 | D007024 | ClinicalTrials |
Heart Failure | 1 | D006333 | ClinicalTrials |
Retinopathy of Prematurity | 1 | D012178 | ClinicalTrials |
Respiratory Distress Syndrome | 1 | D012128 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 57-50-1 |
ChEBI | 17992 |
ChEMBL | CHEMBL253582 |
DrugBank | DB02772 |
DrugCentral | 4610 |
EPA CompTox | DTXSID2021288 |
FDA SRS | C151H8M554 |
Human Metabolome Database | HMDB0000258 |
Guide to Pharmacology | 5411 |
KEGG | C00089 |
PharmGKB | PA451525 |
PubChem | 5988 |
SureChEMBL | SCHEMBL1005 |
ZINC | ZINC000004217475 |