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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27FO6S
Molecular Weight 474.542
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-GLUCOPYRANOSIDE, METHYL 1-C-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYLPHENYL)-

SMILES

CO[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC=C(C)C(CC3=CC=C(S3)C4=CC=C(F)C=C4)=C2

InChI

InChIKey=UKGXVMIGVXOCSH-HFBCXCLPSA-N
InChI=1S/C25H27FO6S/c1-14-3-6-17(25(31-2)24(30)23(29)22(28)20(13-27)32-25)11-16(14)12-19-9-10-21(33-19)15-4-7-18(26)8-5-15/h3-11,20,22-24,27-30H,12-13H2,1-2H3/t20-,22-,23+,24-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H27FO6S
Molecular Weight 474.542
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:35 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:35 GMT 2023
Record UNII
4X975B8M4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-GLUCOPYRANOSIDE, METHYL 1-C-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYLPHENYL)-
Systematic Name English
CANAGLIFLOZIN IMPURITY 1
Common Name English
(2S,3R,4S,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)THIOPHEN-2-YL)METHYL)-4-METHYLPHENYL)-TETRAHYDRO-6-(HYDROXYMETHYL)-2-METHOXY-2H-PYRAN-3,4,5-TRIOL
Systematic Name English
Code System Code Type Description
FDA UNII
4X975B8M4V
Created by admin on Sat Dec 16 18:34:35 GMT 2023 , Edited by admin on Sat Dec 16 18:34:35 GMT 2023
PRIMARY
PUBCHEM
67157964
Created by admin on Sat Dec 16 18:34:35 GMT 2023 , Edited by admin on Sat Dec 16 18:34:35 GMT 2023
PRIMARY
CAS
1358581-37-9
Created by admin on Sat Dec 16 18:34:35 GMT 2023 , Edited by admin on Sat Dec 16 18:34:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY