Synonyms: | |
Status: | Phase 3 |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 8K0I04919X |
Parent Compound: | THIAMINE |
InChI Key | UIERGBJEBXXIGO-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H17N5O4S |
Molecular Weight | 327.37 |
AlogP | 0.61 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 75.91 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 18.0 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Heart Diseases | 3 | D006331 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL2104496 |
EPA CompTox | DTXSID4038762 |
FDA SRS | 8K0I04919X |
PubChem | 10762 |
SureChEMBL | SCHEMBL60971 |