洛哌丁胺

Description

LOPERAMIDE · CAS 53179-11-6 · C29H33ClN2O2. UNII 6X9OC3H4II. Melting Point: 220-228; LogP: 5.13; Ionization Efficiency: 5.26360044.

Identification

CAS Registry Number	53179-11-6
PubChem CID	3955
Molecular formula	C29H33ClN2O2
IUPAC name	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
UNII (FDA)	6X9OC3H4II

Computed Descriptors

Molecular Weight	477.0
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	476.2230560
Monoisotopic Mass	476.2230560
Topological Polar Surface Area	43.8
Heavy Atom Count	34
Formal Charge	0

Physical & Chemical Properties

Melting Point	220-228
LogP	5.13
Ionization Efficiency	5.26360044
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	DOI:10.1002/rcm.8352

Physical description & handling notes

• Solid
• Positive
• Thermo LTQ
• Electrospray ionization
• formic acid (5.3nM)
• 222.7 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

GHS Hazard Classification

Reported hazard statements	H301 (100%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >250
• Consumption (g per capita; approx.) in Germany (2009): 0.00305
• Consumption (g per capita) in the USA (2002): 0.073
• Consumption (g per capita) in France (2004): 0.00526
• 4-Bromo-2,2-diphenylbutyric acid is converted in a series of reactions to dimethyl(tetrahydro-3,3-diphenyl-2-furylidene) ammonium bromide, which is reacted with p-chlorophenyl-4-piperidinol to produce loperamide.
• Preparation: Janssen et al., France patent 2100711; eidem, United States of American patent 3714159 (1972, 1973 to Janssen).

Synonyms

loperamide; 53179-11-6; Loperamida; Loperamidum; 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide; Fortasec; DTXSID6045165; 6X9OC3H4II; 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide; 4-(4-Chlorophenyl)-N,N-dimethyl-alpha,alpha-diphenyl-4-hydroxy-1-piperidinebutanamide; CHEBI:6532; DTXCID4025165; 1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-; NSC696356; RefChem:5959; 258-416-5

Frequently Asked Questions

What are the CAS number and molecular formula of LOPERAMIDE?

CAS 53179-11-6; molecular formula C29H33ClN2O2; molecular weight — g/mol.

What other names is LOPERAMIDE known by?

loperamide, 53179-11-6, Loperamida, Loperamidum, 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide, Fortasec.

Is LOPERAMIDE classified as hazardous?

Hazard statements reported: H301.

What are the key physical properties of LOPERAMIDE?

Melting Point: 220-228; LogP: 5.13; Ionization Efficiency: 5.26360044; Ionization Efficiency: 2.7.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.