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Molekula

Molekula

Dapagliflozin propanediol monohydrate

SKU 90037488 CAS 960404-48-2 C21H25ClO6.C3H8O2.H2O MW 502.99 In stock Bulk quantities on request

Supplying 4,500+ customers in over 80 countries

ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need

Dapagliflozin propanediol monohydrate is a selective sodium-glucose cotransporter 2 (SGLT2) inhibitor used primarily in pharmaceutical research and development for diabetes treatment studies. It is a crystalline solid with a defined molecular structure critical for metabolic research. This chemical has a CAS number of 960404-48-2, a molecular formula of C21H25ClO6.C3H8O2.H2O, and a molecular weight of 502.99 g/mol. It must be stored at -15 to -20°C and carries a Danger signal word due to its hazardous properties. Molekula supplies Dapagliflozin propanediol monohydrate from research to bulk quantities with full documentation and ISO 9001:2015 traceability.

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Pricing & pack sizes

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Specifications

Property Value
Appearance White to off-white powder
Water 3.2% - 4.0%
Single Impurity ≤0.10%
Acetonitrile ≤0.041%
Solubility Freely soluble methanol, in tetrahydrofuran in ethanol and in acetone soluble in acetonitrile slight soluble in water.
Assay 98.0% - 102.0% (C21H25CIO6) calculated on the anhydrous propanediol-free, and solvent-free basis.
Methanol ≤0.30%
Total Impurities ≤0.30%
Acetic acid ≤0.50%
Identification (IR and HPLC) IR: The infared absorption spectrum of the sample shall be consistent with that of the reference substance. HPLC: The retention time of the major peak of the sample solution coresponds to that of the standard solution as obtainded in the assay
Cyclohexane ≤0.388%
Isopropyl acetate ≤0.50%
Propanediol 14.0% - 16.5%
Ethyldapagliflozin ≤0.15%

Storage & handling

Property Value
Storage Temperature -15 to -20 °C
Acidity Neutral

Identification

Property Value
SKU 90037488
CAS Number 960404-48-2
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 Formula C21H25ClO6.C3H8O2.H2O
Molecular Weight 502.99
Exact Mass 502.197
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
InChIKey GOADIQFWSVMMRJ-UPGAGZFNSA-N
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
PubChem CID 24906252
REACH Code Y110
HTS Code 29329970
Tariff Code 2932990090

Safety & GHS

Danger
  • GHS pictogram — Health Hazard Health Hazard GHS07
  • GHS pictogram — Serious Health Hazard Serious Health Hazard GHS08

Hazard statements

  • H302 Harmful if swallowed
  • H360D May harm the unborn child
  • H362 May cause harm to breast-fed children
  • H372 Causes damage to organs through prolonged or repeated exposure

Precautionary statements

  • P260 Do not breathe dust/fume/gas/mist/vapours/spray
  • P263 Avoid contact during pregnancy/while nursing
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P301+330 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
  • P302+352 IF ON SKIN: Wash with soap and water
  • P305+351+338 IF IN EYES: Rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
  • P308+313 IF exposed or concerned: Get medical advice/attention

Documents

Certificate of Analysis (CoA) by batch

Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.

Synonyms

  • dapagliflozin (S)-propylene glycol hydrate
  • DAPAGLIFLOZIN COMPOUND WITH (2S)-1,2-PROPANEDIOL HYDRATE
  • Dapagliflozin propandiol monohydrate
  • Dapagliflozin propanediol
  • DAPAGLIFLOZIN PROPANEDIOL COMPONENT OF XIGDUO
  • Dapagliflozin propanediol hydrate
  • Dapagliflozin propylene glycol hydrate
  • Dapagliflozin propylene glycolate hydrate
  • Dapagliflozin S-propylene glycol monohydrate
  • XIGDUO COMPONENT DAPAGLIFLOZIN PROPANEDIOL

Frequently asked questions

What is Dapagliflozin propanediol monohydrate used for?

It is the drug-substance form of dapagliflozin, a sodium-glucose cotransporter 2 (SGLT2) inhibitor for treating type 2 diabetes. This (S)-propylene glycol monohydrate solvate is the active ingredient in Farxiga and Xigduo.

What is the chemical formula and molecular weight?

The formula is C₂₁H₂₅ClO₆·C₃H₈O₂·H₂O, with a molecular weight of 502.99 g/mol.

How should Dapagliflozin propanediol monohydrate be stored?

Store at -15 to -20°C to maintain stability and prevent degradation.

What grade or purity is available for this compound?

Molekula supplies this compound in pharmaceutical-grade purity (≥98% HPLC), suitable for API synthesis.

Can Molekula supply this in bulk quantities?

Yes, we offer bulk quantities (from 1 kg to multi-ton orders) with flexible packaging options.

What documentation comes with the order?

Each order includes a Certificate of Analysis (CoA), Material Safety Data Sheet (MSDS), and batch-specific documentation for traceability.

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