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Details

Stereochemistry MIXED
Molecular Formula C21H25ClO6.C4H10O2.H2O
Molecular Weight 517.009
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAPAGLIFLOZIN 2,3-BUTANEDIOL MONOHYDRATE

SMILES

O.CC(O)C(C)O.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=TZXPFYAUQDYEQT-KWQAYMRWSA-N
InChI=1S/C21H25ClO6.C4H10O2.H2O/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;1-3(5)4(2)6;/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-6H,1-2H3;1H2/t17-,18-,19+,20-,21+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DAPAGLIFLOZIN 2,3-BUTANEDIOL MONOHYDRATE
Common Name English
D-GLUCITOL, 1,5-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXYPHENYL)METHYL)PHENYL)-, (1S)-, 2,3-BUTANEDIOL, HYDRATE (1:1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
U289305BKG
Created by admin on Sat Dec 16 13:39:53 GMT 2023 , Edited by admin on Sat Dec 16 13:39:53 GMT 2023
PRIMARY
PUBCHEM
135390870
Created by admin on Sat Dec 16 13:39:53 GMT 2023 , Edited by admin on Sat Dec 16 13:39:53 GMT 2023
PRIMARY
CAS
2040305-03-9
Created by admin on Sat Dec 16 13:39:53 GMT 2023 , Edited by admin on Sat Dec 16 13:39:53 GMT 2023
PRIMARY