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Details

Stereochemistry EPIMERIC
Molecular Formula C21H27ClO7
Molecular Weight 426.888
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dapagliflozin Open Ring

SMILES

CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C=C1

InChI

InChIKey=QXLZASULNNCSEF-WNTWWTRPSA-N
InChI=1S/C21H27ClO7/c1-2-29-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)18(25)20(27)21(28)19(26)17(24)11-23/h3-8,10,17-21,23-28H,2,9,11H2,1H3/t17-,18?,19-,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H27ClO7
Molecular Weight 426.888
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
6C9NSJ2ZND
Record Status Validated (UNII)
Record Version