Benfotiamine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Benfotiamine
Accession Number
DB11748
Type
Small Molecule
Groups
Approved, Experimental
Description

Benfotiamine has been investigated for the treatment and prevention of Diabetic Nephropathy and Diabetes Mellitus, Type 2.

Structure
Thumb
Synonyms
  • Benfotiamina
  • Benfotiamine
  • Benphothiamine
  • Benzoylthiamine monophosphate
  • S-benzoylthiamine monophosphate
External IDs
8088 C.B. / 8088-CB / 8088CB
Categories
UNII
Y92OUS2H9B
CAS number
22457-89-2
Weight
Average: 466.45
Monoisotopic: 466.107592649
Chemical Formula
C19H23N4O6PS
InChI Key
BTNNPSLJPBRMLZ-LGMDPLHJSA-N
InChI
InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-
IUPAC Name
{[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid
SMILES
C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
3032771
PubChem Substance
347828105
ChemSpider
2297665
ChEBI
41039
ChEMBL
CHEMBL3183549
ZINC
ZINC000002015559
Wikipedia
Benfotiamine
ATC Codes
A11DA03 — Benfotiamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentType 1 Diabetes Mellitus1
1, 2WithdrawnTreatmentDiabetic Neuropathy, Painful1
2Active Not RecruitingTreatmentAlzheimer's Disease (AD)1
3CompletedPreventionHealthy Volunteers1
3Unknown StatusTreatmentDiabetic Neuropathies1
4CompletedPreventionEndothelial Dysfunction / Type 2 Diabetes Mellitus1
4CompletedTreatmentAlcohol Dependence1
4CompletedTreatmentDiabetic Nephropathies1
4Unknown StatusPreventionType 2 Diabetes Mellitus1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.04 mg/mLALOGPS
logP0.89ALOGPS
logP-2.2ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)0.71ChemAxon
pKa (Strongest Basic)7.37ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area155.94 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity121.54 m3·mol-1ChemAxon
Polarizability43.14 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on October 20, 2016 14:44 / Updated on February 06, 2020 13:13