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Ebastine EP Impurity E

CAT: 1299-RM-E022005-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E022005-03Size:50 mg
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CAS Number
1312211-93-0
Synonyms
4- (4- (benzhydryloxy) piperidin-1-yl) -1- (4- (tert-pentyl) phenyl) butan-1-one
Molecular Formula
C33H41NO2
Molecular Weight
483.68
Target Alternative Name
Ebastine
Product Name Synonym
4- (4- (benzhydryloxy) piperidin-1-yl) -1- (4- (tert-pentyl) phenyl) butan-1-one

Chemical Information

Ebastine EP Impurity E
CAS Number1312211-93-0
PubChem CID129318589
IUPAC Name4-(4-benzhydryloxypiperidin-1-yl)-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-one
Molecular FormulaC33H41NO2
Molecular Weight483.7
XLogP7.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity614
SMILES
CCC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C33H41NO2/c1-4-33(2,3)29-19-17-26(18-20-29)31(35)16-11-23-34-24-21-30(22-25-34)36-32(27-12-7-5-8-13-27)28-14-9-6-10-15-28/h5-10,12-15,17-20,30,32H,4,11,16,21-25H2,1-3H3
InChIKey
HPKXAPGAMCZWKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebastine EP Impurity E
CAS: 1312211-93-0
CID: 129318589
Formula: C33H41NO2
MW: 483.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.7
XLogP37.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass483.313729551
Monoisotopic Mass483.313729551
Topological Polar Surface Area29.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-E09241-01Ebastine Impurity 4
AR-E09240-01Ebastine Impurity 3
448046-01Ebastine Impurity E
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AR-E01015-01Ebastine Impurity 1
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