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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25ClO6
Molecular Weight 408.873
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dapagliflozin C2 epimer

SMILES

CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)C=C1

InChI

InChIKey=JVHXJTBJCFBINQ-MJCUULBUSA-N
InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H25ClO6
Molecular Weight 408.873
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WK33WFE47M
Record Status Validated (UNII)
Record Version