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Details

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

SHOW SMILES / InChI
Structure of Dapagliflozin, (1R)-

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-YMQHIKHWSA-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
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 19:53:00 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:00 GMT 2023
Record UNII
V2NT58LK94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dapagliflozin, (1R)-
Common Name English
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1R)-
Systematic Name English
1R-Dapagliflozin
Common Name English
Code System Code Type Description
PUBCHEM
73014129
Created by admin on Sat Dec 16 19:53:00 GMT 2023 , Edited by admin on Sat Dec 16 19:53:00 GMT 2023
PRIMARY
CAS
1373321-04-0
Created by admin on Sat Dec 16 19:53:00 GMT 2023 , Edited by admin on Sat Dec 16 19:53:00 GMT 2023
PRIMARY
FDA UNII
V2NT58LK94
Created by admin on Sat Dec 16 19:53:00 GMT 2023 , Edited by admin on Sat Dec 16 19:53:00 GMT 2023
PRIMARY