Loperamide oxide

4-[4-(4-chlorophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

CAS: 106900-12-3

Molecular Formula	`C29H33ClN2O3`
Molecular Weight	493.0 g/mol
LogP	4.5
Topological Polar Surface Area	58.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	492.21796
Heavy Atoms	35
Complexity	668.0

Chemical Identifiers

CAS Number	106900-12-3
SMILES	`CN(C)C(=O)C(CC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4`
InChIKey	`KXVSBTJVTUVNPM-UHFFFAOYSA-N`

📖 Product Overview

Loperamide oxide (CAS: 106900-12-3) is a chemical compound with molecular formula C29H33ClN2O3 and molecular weight 493.0 g/mol. Its IUPAC systematic name is 4-[4-(4-chlorophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide. LogP 4.5 Topological Polar Surface Area 58.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 492.21796 Heavy Atoms 35 Complexity 668.0 InChI Key: KXVSBTJVTUVNPM-UHFFFAOYSA-N. SMILES: CN(C)C(=O)C(CC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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