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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25ClO6.C3H8O2.H2O
Molecular Weight 502.982
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAPAGLIFLOZIN PROPANEDIOL

SMILES

O.C[C@H](O)CO.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=GOADIQFWSVMMRJ-UPGAGZFNSA-N
InChI=1S/C21H25ClO6.C3H8O2.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)2-4;/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-5H,2H2,1H3;1H2/t17-,18-,19+,20-,21+;3-;/m10./s1

HIDE SMILES / InChI
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C3H8O2
Molecular Weight 76.0944
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:28:40 UTC 2023
Edited
by admin
on Fri Dec 15 15:28:40 UTC 2023
Record UNII
887K2391VH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAPAGLIFLOZIN PROPANEDIOL
USAN  
USAN  
Official Name English
DAPAGLIFLOZIN COMPOUND WITH (2S)-1,2-PROPANEDIOL HYDRATE
MI  
Common Name English
FARXIGA
Brand Name English
XIGDUO COMPONENT DAPAGLIFLOZIN PROPANEDIOL
Brand Name English
DAPAGLIFLOZIN PROPYLENE GLYCOLATE HYDRATE
JAN  
Common Name English
DAPAGLIFLOZIN PROPANEDIOL MONOHYDRATE [EMA EPAR]
Common Name English
DAPAGLIFLOZIN PROPANEDIOL COMPONENT OF XIGDUO
Brand Name English
BMS-512148-05
Code English
(2S,3R,4R,5S,6R)-2-(4-CHLORO-3-(4-ETHOXYBENZYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO- 2H-PYRAN-3,4,5-TRIOL, (2S)-PROPANE-1,2-DIOL (1:1) MONOHYDRATE
Common Name English
DAPAGLIFLOZIN PROPANEDIOL MONOHYDRATE
EMA EPAR   WHO-DD  
Common Name English
DAPAGLIFLOZIN PROPYLENE GLYCOLATE HYDRATE [JAN]
Common Name English
DAPAGLIFLOZIN S-PROPYLENE GLYCOL MONOHYDRATE
Common Name English
DAPAGLIFLOZIN COMPOUND WITH (2S)-1,2-PROPANEDIOL HYDRATE [MI]
Common Name English
Dapagliflozin propanediol monohydrate [WHO-DD]
Common Name English
DAPAGLIFLOZIN PROPANEDIOL [USAN]
Common Name English
D-GLUCITOL, 1,5-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXYPHENYL)METHYL)PHENYL)-, (1S)-, COMPD. WITH (2S)-1,2-PROPANEDIOL, HYDRATE (1:1:1)
Common Name English
FORXIGA
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C98083
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
Code System Code Type Description
CAS
1700615-13-9
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
RXCUI
1486966
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY RxNorm
MERCK INDEX
m4086
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY Merck Index
DAILYMED
887K2391VH
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL429910
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
EVMPD
SUB90205
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
DRUG BANK
DBSALT001101
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
PUBCHEM
24906252
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID00914678
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
NCI_THESAURUS
C154296
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
FDA UNII
887K2391VH
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
CHEBI
85079
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
CAS
960404-48-2
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
RS_ITEM_NUM
1163253
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY
JAPANESE REVIEW
FORXIGA
Created by admin on Fri Dec 15 15:28:40 UTC 2023 , Edited by admin on Fri Dec 15 15:28:40 UTC 2023
PRIMARY APPROVED MARCH 2014
Related Record Type Details
Structure of DAPAGLIFLOZIN
PARENT -> SALT/SOLVATE
Structure of DAPAGLIFLOZIN
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of BMS-639432
METABOLITE INACTIVE -> PARENT
Related Record Type Details
Structure of DAPAGLIFLOZIN
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