Loperamide EP Impurity E - CAS 1426322-82-8

Name: Loperamide EP Impurity E
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB055046
Product Name:	Loperamide EP Impurity E
CAS:	1426322-82-8
Synonyms:	Loperamide Impurity E; 1,4-Bis[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2,2-diphenyl-1-butanone; 4-(4-Chlorophenyl)-1-(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylbutanoyl)piperidin-4-ol; 1,4-Bis[4-(4-chlorophenyl)-1-piperidinyl]-1-butanone Loperamide; Loperamide Hydrochloride EP Impurity E

Technical Data

Related CAS:	2514662-05-4 (monohydrochloride)
IUPAC Name:	1,4-bis[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutan-1-one
Description:	An impurity of Loperamide, which is a synthetic opioid used primarily to treat diarrhea.
Molecular Weight:	643.64
Molecular Formula:	C38H40Cl2N2O3
Canonical 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
InChI Key:	JQWKNSKWNAQZHW-UHFFFAOYSA-N
Boiling Point:	813.2±65.0 °C at 760 mmHg
Purity:	≥95%
Density:	1.279±0.06 g/cm3
Storage:	Store at 2-8 °C

Complexity:	917
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	642.2415985
Formal Charge:	0
Heavy Atom Count:	45
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	642.2415985
Rotatable Bond Count:	8
Topological Polar Surface Area:	64Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.8