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Bilastine Impurity 12

CAT: 1299-RM-B192012-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B192012-01Size:10 mg
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CAS Number
2761921-47-3
Synonyms
2-amino-2-methylpropyl 2- (4- (2- (4- (1- (2-ethoxyethyl) -1H-benzo[d]imidazol-2-yl) piperidin-1-yl) ethyl) phenyl) -2-methylpropanoate
Molecular Formula
C32H46N4O3
Molecular Weight
534.73
Target Alternative Name
Bilastine
Product Name Synonym
2-amino-2-methylpropyl 2- (4- (2- (4- (1- (2-ethoxyethyl) -1H-benzo[d]imidazol-2-yl) piperidin-1-yl) ethyl) phenyl) -2-methylpropanoate

Chemical Information

Bilastine Impurity 4
CAS Number2761921-47-3
PubChem CID175675211
IUPAC Name(2-amino-2-methylpropyl) 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoate
Molecular FormulaC32H46N4O3
Molecular Weight534.7
XLogP4.6
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count39
Formal Charge0
Complexity759
SMILES
CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)OCC(C)(C)N
InChI
InChI=1S/C32H46N4O3/c1-6-38-22-21-36-28-10-8-7-9-27(28)34-29(36)25-16-19-35(20-17-25)18-15-24-11-13-26(14-12-24)32(4,5)30(37)39-23-31(2,3)33/h7-14,25H,6,15-23,33H2,1-5H3
InChIKey
GFRPXKNUCDOBST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bilastine Impurity 4
CAS: 2761921-47-3
CID: 175675211
Formula: C32H46N4O3
MW: 534.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight534.7
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass534.35699134
Monoisotopic Mass534.35699134
Topological Polar Surface Area82.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity759
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