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Loperamide EP Impurity E HCl

CAT: 1596-AR-L01818-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01818-02Size:50 Units
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CAS Number
1426322-82-8
Synonyms
1,4-bis (4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl) -2,2-diphenylbutan-1-onehydrochloride;1,4-Bis[4- (4-chlorophenyl) -4-hydroxy-1-piperidinyl]-2,2-diphenyl-1-butanone Hydrochloride; Loperamide Impurity E Hydrochloride (EP)
Molecular Formula
C38H40Cl2N2O3. HCl
Molecular Weight
643.66 36.46
API Name
Loperamide

Chemical Information

4-(4-Chlorophenyl)-1-(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylbutanoyl)piperidin-4-ol
CAS Number1426322-82-8
PubChem CID71588005
IUPAC Name1,4-bis[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutan-1-one
Molecular FormulaC38H40Cl2N2O3
Molecular Weight643.6
XLogP6.8
Topological Polar Surface Area64
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity917
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI
InChI=1S/C38H40Cl2N2O3/c39-33-15-11-29(12-16-33)36(44)19-24-41(25-20-36)26-23-38(31-7-3-1-4-8-31,32-9-5-2-6-10-32)35(43)42-27-21-37(45,22-28-42)30-13-17-34(40)18-14-30/h1-18,44-45H,19-28H2
InChIKey
JQWKNSKWNAQZHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenyl)-1-(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylbutanoyl)piperidin-4-ol
CAS: 1426322-82-8
CID: 71588005
Formula: C38H40Cl2N2O3
MW: 643.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.6
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass642.2415985
Monoisotopic Mass642.2415985
Topological Polar Surface Area64 Ų
Heavy Atom Count45
Formal Charge0
Complexity917
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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