- Molecular NameThiamine
- SynonymThiadoxine; Thiamin; Thiamine Hcl; Vitamin B1
- Weight265.361
- Drugbank_IDDB00152
- ACS_NO59-43-8
- Show 2D model
- LogP (experiment)-3.9
- LogP (predicted, AB/LogP v2.0)-2.69
- pka4.8
- LogD (pH=7, predicted)-2.69
- Solubility (experiment)N/A
- LogS (predicted, ACD/Labs)(ph=7)N/A
- LogSw (predicted, AB/LogsW2.0)88.26
- Sw (mg/ml) (predicted, ACD/Labs)N/A
- No.of HBond Donors3
- No.of HBond Acceptors5
- No.of Rotatable Bonds4
- TPSA104.15
- StatusFDA approved
- AdministrationN/A
- PharmacologyA water-soluble vitamin of the B complex (vitamin B1)
- Absorption_valueN/A
- Absorption (description)Thiamine is released by the action of phosphatase and pyrophosphatase in the upper small intestine. At low concentrations the process is carrier mediated and at higher concentrations, absorption occurs via passive diffusion. Active transport is greatest in the jejunum and ileum (it is inhibited by alcohol consumption and by folic deficiency.
- Caco_2N/A
- Bioavailability4.5
- Protein binding92.0
- Volume of distribution (VD)N/A
- Blood/Plasma Partitioning ratio (D_blood)N/A
- MetabollsmHepatic
- Half lifeN/A
- ExcretionN/A
- Urinary ExcretionN/A
- CleranceN/A
- ToxicityThiamine toxicity is uncommon; as excesses are readily excreted, although long-term supplementation of amounts larger than 3 gram have been known to cause toxicity.
- LD50 (rat)LD50=3710 mg/kg
- LD50 (mouse)LD50=8224 mg/kg