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Home > Encyclopedia > (R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide

(R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide

(R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide structure

(R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide 

structure
  • CAS No:

    913358-93-7

  • Formula:

    C29H31F3N2O3

  • Chemical Name:

    (R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide

  • Synonyms:

    Almorexant HCI;(R)-2-((S)-1-(4-(trifluoromethyl)phenethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide hydrochloride;ACT078573 hydrochloride;AlMorexant (hydrochloride);(alphaR,1S)-3,4-Dihydro-6,7-dimethoxy-N-methyl-alpha-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2(1H)-isoquinolineacetamide monohydrochloride

  • Categories:

    Biochemical Engineering  >  Inhibitors

Description

Almorexant Hcl (ACT078573) is a potent and competitive dual orexin 1 receptor (OX1)/orexin 2 receptor (OX2) antagonist with Ki values of 1.3 and 0.17 nM for OX1 and OX2, respectively.

(R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide Basic Attributes

512.5632496

548.205383

O4Z94D9A99

Characteristics

50.80000

6.87270

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

(R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide Use and Manufacturing

(2R)-2-{(15)-6, 7-dimethoxy-l-[2-(4-trifluoromethyl-phenyl)-ethyl]-3, 4-dihydro-iisoquinolin-2-yl}-N-methyl-2-phenyl-acetamide hydrochloride (I) - almorexant, form A (16 -6, 7-Dimethoxy-l-[2-(4-trifluoromethylphenyl)ethyl]-l, 2, 3, 4-tetrahydroisoquinoline hydrochloride (50 g) was suspended in 2-butanone (250 ml) under stirring at the laboratory temperature.

Computed Properties

Molecular Weight:549.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:548.2053551
Monoisotopic Mass:548.2053551
Topological Polar Surface Area:50.8
Heavy Atom Count:38
Complexity:722
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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