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Tolrestat

CAT: 0931-T17114-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T17114-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82964-04-3
Target
Reductase
Related Pathways
Metabolism, Endocrinology/Hormones
Purity
>99.99%
Bioactivity
Tolrestat (AY-27773) is a potent inhibitor of aldose reductase (IC50 = 35 nM) .
Smiles
C(N(CC(O)=O)C)(=S)C=1C2=C(C(C(F)(F)F)=C(OC)C=C2)C=CC1
Molecular Formula
C16H14F3NO3S
Molecular Weight
357.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tolrestat

Tolrestat is a member of naphthalenes. It has a role as an EC 1.1.1.21 (aldehyde reductase) inhibitor.

CAS Number82964-04-3
PubChem CID53359
IUPAC Name2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid
Molecular FormulaC16H14F3NO3S
Molecular Weight357.3
XLogP3.7
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity486
SMILES
CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OC
InChI
InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
InChIKey
LUBHDINQXIHVLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolrestat
CAS: 82964-04-3
CID: 53359
Formula: C16H14F3NO3S
MW: 357.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.3
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass357.06464897
Monoisotopic Mass357.06464897
Topological Polar Surface Area81.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7153-10Tolrestat
HY-16500R-01Tolrestat (Standard)
A13083-100Tolrestat 100mg
A13083-25Tolrestat 25mg
A13083-5Tolrestat 5mg
467708-01Tolrestat-d3
A13083-50Tolrestat 50mg
A13083-10Tolrestat 10mg
A13083-1Tolrestat 1mg

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