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N-Desmethyl Loperamide

N-Desmethyl Loperamide structure

CAS No:
66164-07-6
Formula:
C28H31ClN2O2
Chemical Name:
N-Desmethyl Loperamide
Synonyms:
1-Piperidinebutanamide,4-(4-chlorophenyl)-4-hydroxy-N-methyl-α,α-diphenyl-;4-(4-Chlorophenyl)-4-hydroxy-N-methyl-α,α-diphenyl-1-piperidinebutanamide;R 20905;Desmethylloperamide;N-Desmethyl Loperamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

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Desmethyl loperamide is a monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid. It has a role as a drug metabolite. It is a member of piperidines, a tertiary alcohol, a monocarboxylic acid amide and a member of monochlorobenzenes.

N-Desmethyl Loperamide Basic Attributes

Molecular Weight：

463.01

Exact Mass：

463.01

UNII：

0R07BFN7L3

DSSTox ID：

DTXSID70430956

HScode：

2933399090

Characteristics

PSA：

52.6

XLogP3：

4.8

Density：

1?+-.0.06 g/cm3(Predicted)

Melting Point：

224-226 °C

Boiling Point：

678.336ºC at 760 mmHg

Flash Point：

364.044ºC

Refractive Index：

1.603

Storage Conditions：

-20°C Freezer

Collision Cross Section：

218.7 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Drug Information

Metabolism/Metabolites：

N-Desmethyloperamide is a known human metabolite of loperamide.

MeSH Entry Terms：

(11C)N-desmethyl-loperamide

N-Desmethyl Loperamide Use and Manufacturing

Loperamide is an opiate which potently and selectively activates μ opioid receptors (Ki = 0.16 nM) exclusively in the periphery. N-Desmethyl-loperamide (dLop) is a major metabolite of loperamide. Like loperamide, dLop is a substrate of the ATP-dependent efflux transporter, P-glycoprotein. As a result, both the parent compound and the metabolite display restricted passage through the blood-brain barrier. dLop in biological samples can be analyzed by a variety of methods.

Computed Properties

Molecular Weight:463.0
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:462.2074059
Monoisotopic Mass:462.2074059
Topological Polar Surface Area:52.6
Heavy Atom Count:33
Complexity:595
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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DESMETHYL LOPERAMIDE

CAS No.: 66164-07-6

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