Empagliflozin Impurity 168

CAT: 1299-RM-E131768-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-E131768-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1800196-47-7

Synonyms

((2-chloro-5-iodophenyl) (4- (((S) -tetrahydrofuran-3-yl) oxy) phenyl) methoxy) trimethylsilane

Molecular Formula

C20H24ClIO3Si

Molecular Weight

502.85

Target Alternative Name

Empagliflozin

Product Name Synonym

((2-chloro-5-iodophenyl) (4- (((S) -tetrahydrofuran-3-yl) oxy) phenyl) methoxy) trimethylsilane

Chemical Information

((2-chloro-5-iodophenyl)(4-(((S)-tetrahydrofuran-3-yl)oxy)phenyl)methoxy)trimethylsilane

CAS Number	1800196-47-7
PubChem CID	157130443
IUPAC Name	[(2-chloro-5-iodophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methoxy]-trimethylsilane
Molecular Formula	C20H24ClIO3Si
Molecular Weight	502.8
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	439

SMILES

C[Si](C)(C)OC(C1=CC=C(C=C1)O[C@H]2CCOC2)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C20H24ClIO3Si/c1-26(2,3)25-20(18-12-15(22)6-9-19(18)21)14-4-7-16(8-5-14)24-17-10-11-23-13-17/h4-9,12,17,20H,10-11,13H2,1-3H3/t17-,20?/m0/s1

InChIKey

AIZUPYMCAYHOBU-DIMJTDRSSA-N

Chemical Structure

2D Structure

CAS: 1800196-47-7

CID: 157130443

Formula: C20H24ClIO3Si

MW: 502.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	502.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	502.02280
Monoisotopic Mass	502.02280
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	439
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes