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Licogliflozin 5mg

CAT: 0628-A12828-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12828-5Size:5 mg
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CAS Number
1291094-73-9

Chemical Information

Licogliflozin

Licogliflozin is under investigation in clinical trial NCT03320941 (A Dose-finding Study to Evaluate the Change in Weight After Treatment With LIK066 in Japanese Patients With Obesity).

CAS Number1291094-73-9
PubChem CID52913524
IUPAC Name(2S,3R,4R,5S,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC23H28O7
Molecular Weight416.5
XLogP1.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity546
SMILES
CCC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1
InChIKey
XFJAMQQAAMJFGB-ZQGJOIPISA-N
Chemical Structure
2D Structure
2D structure of Licogliflozin
CAS: 1291094-73-9
CID: 52913524
Formula: C23H28O7
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass416.18350323
Monoisotopic Mass416.18350323
Topological Polar Surface Area109 Ų
Heavy Atom Count30
Formal Charge0
Complexity546
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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