Dapagliflozin Impurity 6 - CAS 461432-22-4
Catalog: |
BB026078 |
Product Name: |
Dapagliflozin Impurity 6 |
CAS: |
461432-22-4 |
Synonyms: |
5-bromo-2-chloro-4'-ethoxybenzophenone; Dapagliflozin Bromomethanone |
IUPAC Name: | (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone |
Description: | Dapagliflozin Impurity 6 is an impurity of Dapagliflozin. Dapagliflozin (BMS 512148) is a selective, orally active inhibitor of the renal sodium-glucose co-transporter type 2 (SGLT2) in development for the treatment of type 2 diabetes mellitus (T2DM). |
Molecular Weight: | 339.61 |
Molecular Formula: | C15H12BrClO2 |
Canonical SMILES: | CCOC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)Cl |
InChI: | InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3 |
InChI Key: | OEURLNJEQCLGPS-UHFFFAOYSA-N |
Boiling Point: | 439.162 °C at 760 mmHg |
Melting Point: | 70-80 °C |
Purity: | > 95 % |
Density: | 1.437 g/cm3 |
Solubility: | Soluble in Acetonitrile |
Appearance: | White to off-white solid |
Storage: | Store at -20 °C |
LogP: | 4.73220 |
GHS Hazard Statement: | H315 (17.39%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112920030-A | Method for preparing dapagliflozin intermediate by one-pot method | 20210205 |
CN-111995507-A | Application of combined catalyst in specific Friedel-crafts reaction | 20200923 |
CN-111925283-A | Preparation method of dapagliflozin impurity | 20200630 |
CN-111662166-A | Preparation method of 5-bromo-2-chloro-4' -ethoxy diphenylmethane | 20200528 |
CN-111265512-A | Composition containing a mixture of benzyl benzene derivatives and uses thereof | 20200209 |
PMID | Publication Date | Title | Journal |
21578801 | 20091114 | (5-Bromo-2-chloro-phen-yl)(4-ethoxy-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.97092 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.97092 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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