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Remogliflozin 10mg

CAT: 0628-A13971-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13971-10Size:10 mg
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CAS Number
329045-45-6

Chemical Information

Remogliflozin
CAS Number329045-45-6
PubChem CID9846588
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxane-3,4,5-triol
Molecular FormulaC23H34N2O7
Molecular Weight450.5
XLogP2.2
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity573
SMILES
CC1=C(C(=NN1C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(C=C3)OC(C)C
InChI
InChI=1S/C23H34N2O7/c1-12(2)25-14(5)17(10-15-6-8-16(9-7-15)30-13(3)4)22(24-25)32-23-21(29)20(28)19(27)18(11-26)31-23/h6-9,12-13,18-21,23,26-29H,10-11H2,1-5H3/t18-,19-,20+,21-,23+/m1/s1
InChIKey
GSINGUMRKGRYJP-VZWAGXQNSA-N
Chemical Structure
2D Structure
2D structure of Remogliflozin
CAS: 329045-45-6
CID: 9846588
Formula: C23H34N2O7
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass450.23660143
Monoisotopic Mass450.23660143
Topological Polar Surface Area126 Ų
Heavy Atom Count32
Formal Charge0
Complexity573
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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