Empagliflozin Desbromo Impurity

CAT: 1596-AR-E08798-01Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E08798-01Size:100 Units

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CAS Number

2517968-35-1

Synonyms

(3S) -3-[4-[ (2-chlorophenyl) methyl]phenoxy]tetrahydrofuran

Molecular Formula

C17H17CIO2

Molecular Weight

288.77

API Name

Empagliflozin

Chemical Information

3-(4-(2-Chlorobenzyl)phenoxy)tetrahydrofuran, (S)-

CAS Number	2517968-35-1
PubChem CID	141288000
IUPAC Name	(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
Molecular Formula	C17H17ClO2
Molecular Weight	288.8
XLogP	4.5
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	289

SMILES

C1COC[C@H]1OC2=CC=C(C=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H17ClO2/c18-17-4-2-1-3-14(17)11-13-5-7-15(8-6-13)20-16-9-10-19-12-16/h1-8,16H,9-12H2/t16-/m0/s1

InChIKey

JYZBRIZBJDEAIX-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 2517968-35-1

CID: 141288000

Formula: C17H17ClO2

MW: 288.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.8
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	288.0917075
Monoisotopic Mass	288.0917075
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	289
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-E08807-01	Empagliflozin Desbromo Methoxy Impurity
AR-C05463-01	Crisaborole Desbromo Ether Impurity
AR-P30859-01	Perampanel Desbromo Pyridone Impurity
AR-E01244-01	Empagliflozin Impurity A
AR-C05465-01	Crisaborole Desbromo Keto Ether Impurity
AR-E09686-01	Empagliflozin Impurity 88
AR-E01247-01	Empagliflozin Impurity D
AR-E01265-01	Empagliflozin Impurity 11
AR-E02348-01	BHT (Empagliflozin Impurity)
AR-E01268-01	Empagliflozin Impurity 14