Trade Names: | |
Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | M572600E5P |
Parent Compound: | THIAMINE |
InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H18Cl2N4OS |
Molecular Weight | 337.28 |
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 |
---|---|---|---|
Hyperemesis Gravidarum | 3 | D006939 | ClinicalTrials |
Thiamine Deficiency | 1 | D013832 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 49105 |
ChEMBL | CHEMBL1200941 |
EPA CompTox | DTXSID0040622 |
FDA SRS | M572600E5P |
PubChem | 6202 |
SureChEMBL | SCHEMBL41101 |