BENFOTIAMINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A11DA03
UNII: Y92OUS2H9B

Structure
InChI Key BTNNPSLJPBRMLZ-UHFFFAOYSA-N
Smile CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23N4O6PS
Molecular Weight 466.46
AlogP 2.63
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 155.94
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Neuropathies 3 D003929 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 22457-89-2
ChEBI 41039
ChEMBL CHEMBL3183549
EPA CompTox DTXSID3045433
FDA SRS Y92OUS2H9B
PubChem 2320
SureChEMBL SCHEMBL188071
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