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Bilastine Hydroxy Impurity

CAT: 1596-AR-B05558-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B05558-02Size:25 Units
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CAS Number
202189-83-1
Synonyms
4-[2-[4-[1- (2-hydroxyethyl) -1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α, α-dimethyl-benzeneacetic acid
Molecular Formula
C26H33O3N3
Molecular Weight
435.57
API Name
Bilastine

Chemical Information

Bilastine Impurity 3
CAS Number202189-83-1
PubChem CID69130321
IUPAC Name2-[4-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
Molecular FormulaC26H33N3O3
Molecular Weight435.6
XLogP1.4
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity611
SMILES
CC(C)(C1=CC=C(C=C1)CCN2CCC(CC2)C3=NC4=CC=CC=C4N3CCO)C(=O)O
InChI
InChI=1S/C26H33N3O3/c1-26(2,25(31)32)21-9-7-19(8-10-21)11-14-28-15-12-20(13-16-28)24-27-22-5-3-4-6-23(22)29(24)17-18-30/h3-10,20,30H,11-18H2,1-2H3,(H,31,32)
InChIKey
RMALIQMLRXZLAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bilastine Impurity 3
CAS: 202189-83-1
CID: 69130321
Formula: C26H33N3O3
MW: 435.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight435.6
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass435.25219192
Monoisotopic Mass435.25219192
Topological Polar Surface Area78.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity611
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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