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Taranabant

Taranabant structure

CAS No:
701977-09-5
Formula:
C27H25ClF3N3O2
Chemical Name:
Taranabant
Synonyms:
Propanamide,N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-;N-[(1S,2S)-3-(4-Chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(1S,2S)-3-(4-Chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[(5-(trifluoromethyl)pyridin-2-yl)oxy]propanamide;N-[(1S,2S)-3-(4-Chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxy]propanamide;Taranabant;MK 0364
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Taranabant is a highly potent and selective cannabinoid 1 (CB1) receptor inverse agonist that inhibits the binding and functional activity of various agonists, with a binding Ki of 0.13 nM for the human CB1R in vitro.

Taranabant is a stilbenoid.

Taranabant Basic Attributes

Molecular Weight：

515.95

Exact Mass：

515.95

UNII：

X9U622S114

DSSTox ID：

DTXSID60220464

Characteristics

PSA：

75.01000

XLogP3：

6.70498

Density：

1.3

Melting Point：

106.0-106.3 °C

Boiling Point：

634.2ºC at 760 mmHg

Safety Information

Precautionary statement(s)：

P260, P264, P270, P273, P314, P391, P501

Hazard Statements：

H372

Drug Information

Drug Indication：

Investigated for use/treatment in obesity.|Obesity

MeSH：

Compounds that interact with and stimulate the activity of CANNABINOID RECEPTORS. (See all compounds classified as Cannabinoid Receptor Agonists.)

MeSH Entry Terms：

MK 0364

Taranabant Use and Manufacturing

Use Classification：

Human Drugs -> EU pediatric investigation plans

Computed Properties

Molecular Weight:516.0
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:515.1587392
Monoisotopic Mass:515.1587392
Topological Polar Surface Area:75
Heavy Atom Count:36
Complexity:776
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes