Dapagliflozin Tetraacetate - CAS 461432-25-7

Name: Dapagliflozin Tetraacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026080
Product Name:	Dapagliflozin Tetraacetate
CAS:	461432-25-7
Synonyms:	(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Technical Data

IUPAC Name:	[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate
Description:	Dapagliflozin Tetraacetate is an impurity of Dapagliflozin. Dapagliflozin 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:	577.02
Molecular Formula:	C29H33ClO10
Canonical SMILES:	CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Cl
InChI:	InChI=1S/C29H33ClO10/c1-6-35-23-10-7-20(8-11-23)13-22-14-21(9-12-24(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3/t25-,26+,27-,28+,29+/m1/s1
InChI Key:	DKOQYKRDCDCNOR-ZCCUTQAASA-N
Boiling Point:	132-133 °C
Purity:	> 98 %
Solubility:	Soluble in Chloroform, Dichloromethane
Appearance:	White to off-white solid
Storage:	Store at 2-8 °C
LogP:	4.12760

GHS Hazard Statement:	H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111265512-A	Composition containing a mixture of benzyl benzene derivatives and uses thereof	20200209
CN-112641773-A	Composition containing heterocyclic compound and use thereof	20200108
US-2020017483-A1	A process for the preparation of d-glucitol, 1,5-anhydro-1-c-[4-chloro-3-[[4- [[(3s)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, ( 1 s)	20170310
WO-2018029611-A1	Novel processes for preparation of dapagliflozin or its solvates or co-crystals thereof	20160809
WO-2017221211-A1	Process for the preparation of dapagliflozin and its solvate thereof	20160624

Complexity:	873
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	5
Defined Bond Stereocenter Count:	0
Exact Mass:	576.1762249
Formal Charge:	0
Heavy Atom Count:	40
Hydrogen Bond Acceptor Count:	10
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	576.1762249
Rotatable Bond Count:	14
Topological Polar Surface Area:	124 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1