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Dapagliflozin Propanediol Hydrate

CAT: 1596-AR-D02659-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02659-01Size:50 Units
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CAS Number
960404-48-2
Synonyms
(2S,3R,4R,5S,6R) -2- (4-chloro-3- (4-ethoxybenzyl) phenyl) -6- (hydroxymethyl) tetrahydro-2H-pyran-3,4,5-triol compound with (S) -propane-1,2-diol (1:1) hydrate; (1S) -1,5-Anhydro-1-C-[4-chloro-3-[ (4-ethoxyphenyl) methyl]phenyl]-D-glucitol (S) -Propane-1,2-diol (1:1) Monohydrate
Molecular Formula
C21H25ClO6 C3H8O2 H2O
Molecular Weight
408.88; 76.10; 18.02
API Name
Dapagliflozin

Chemical Information

Dapagliflozin Propanediol

Dapagliflozin propanediol monohydrate is a hydrate that consists of dapagliflozin compounded with (S)-propylene glycol and hydrate in a (1:1:1) ratio. Used to improve glycemic control, along with diet and exercise, in adults with type 2 diabetes. It has a role as a hypoglycemic agent and a sodium-glucose transport protein subtype 2 inhibitor. It contains a (S)-propane-1,2-diol and a dapagliflozin.

CAS Number960404-48-2
PubChem CID24906252
IUPAC Name(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-propane-1,2-diol;hydrate
Molecular FormulaC24H35ClO9
Molecular Weight503.0
Topological Polar Surface Area141
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity493
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl.C[C@@H](CO)O.O
InChI
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
InChIKey
GOADIQFWSVMMRJ-UPGAGZFNSA-N
Chemical Structure
2D Structure
2D structure of Dapagliflozin Propanediol
CAS: 960404-48-2
CID: 24906252
Formula: C24H35ClO9
MW: 503.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.0
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass502.1969604
Monoisotopic Mass502.1969604
Topological Polar Surface Area141 Ų
Heavy Atom Count34
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-D185398-50MGDapagliflozin Propanediol Hydrate
C6367-100Dapagliflozin ((2S)-1,2-propanediol, hydrate)
BUP13707-01Dapagliflozin ((2S) -1,2-propanediol, hydrate)
D7621-01Dapagliflozin ((2S) -1, 2-propanediol, Hydrate)
M16859-01Dapagliflozin (2S) -1,2-propanediol hydrate
MBS3606853-01Dapagliflozin (2S)-1, 2-propanediol hydrate
MBS3842466-01Dapagliflozin ((2S)-1, 2-propanediol, hydrate)
A17687-5Dapagliflozin ((2S) -1,2-propanediol, hydrate) 5mg
HY-10450AR-01Dapagliflozin ((2S) -1,2-propanediol, hydrate) (Standard)
A17687-500Dapagliflozin ((2S) -1,2-propanediol, hydrate) 500mg

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