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SGLT1/2-IN-1

CAT: 0931-T62830-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62830-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1673514-65-2
Target
SGLT, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
SGLT1/2-IN-1 is a dual inhibitor of SGLT1 and SGLT2.
Smiles
O[C@H]1[C@@]2(O[C@@](CO)(CO2)[C@@H](O)[C@@H]1O)C3=CC(CC=4C=C5C(=CC4)OCCO5)=C(C=C3)C6CC6
Molecular Formula
C25H28O8
Molecular Weight
456.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sglt1/2-IN-1
CAS Number1673514-65-2
PubChem CID117946692
IUPAC Name(1S,2S,3S,4R,5S)-5-[4-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Molecular FormulaC25H28O8
Molecular Weight456.5
XLogP1.4
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity717
SMILES
C1CC1C2=C(C=C(C=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)CO)O)O)O)CC5=CC6=C(C=C5)OCCO6
InChI
InChI=1S/C25H28O8/c26-12-24-13-32-25(33-24,23(29)21(27)22(24)28)17-4-5-18(15-2-3-15)16(11-17)9-14-1-6-19-20(10-14)31-8-7-30-19/h1,4-6,10-11,15,21-23,26-29H,2-3,7-9,12-13H2/t21-,22-,23+,24-,25-/m0/s1
InChIKey
IJBQJMNOXVKYDH-GIDFYXQGSA-N
Chemical Structure
2D Structure
2D structure of Sglt1/2-IN-1
CAS: 1673514-65-2
CID: 117946692
Formula: C25H28O8
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass456.17841785
Monoisotopic Mass456.17841785
Topological Polar Surface Area118 Ų
Heavy Atom Count33
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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