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124439-07-2

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Basic Information
CAS No.: 124439-07-2
Name: 4-Benzofuranacetamide,N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-,hydrochloride (1:1)
Article Data: 1
Molecular Structure:
Molecular Structure of 124439-07-2 (4-Benzofuranacetamide,N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-,hydrochloride (1:1))
Formula: C24H32 N2 O3 . Cl H
Molecular Weight: 432.991
Synonyms: 4-Benzofuranacetamide,N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-,monohydrochloride (9CI); 4-Benzofuranacetamide,N-methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, monohydrochloride,[5R-(5a,7a,8b)]-; 1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.; CAM 570; CI 977;Enadoline hydrochloride; NIH 10672; PD 129290
Boiling Point: 563.2°C at 760 mmHg
Flash Point: 294.4°C
Safety: Human systemic effects by intramuscular route: urine volume increased, changes in urine composition. When heated to decomposition it emits toxic vapors of NOx and HCl.
PSA: 45.92000
LogP: 4.73970
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    124439-07-2

    Enadoline hydrochloride

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Chemistry

Molecule structure of Enadoline hydrochloride (CAS NO.124439-07-2) :

IUPAC Name: 2-(1-benzofuran-4-yl)-N-methyl-N-[(5R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide hydrochloride 
Molecular Weight: 432.98342 g/mol
Molecular Formula: C24H33ClN2O3 
Boiling Point: 563.2 °C at 760 mmHg
Flash Point: 294.4 °C
Enthalpy of Vaporization: 84.65 kJ/mol
Vapour Pressure: 1.04E-12 mmHg at 25 °C 
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 432.217971
MonoIsotopic Mass: 432.217971
Topological Polar Surface Area: 45.9
Heavy Atom Count: 30
Complexity: 593
Defined Atom StereoCenter Count: 1
Undefined Atom StereoCenter Count: 2
Isomeric SMILES: CN(C1CC[C@@]2(CCCO2)CC1N3CCCC3)C(=O)CC4=C5C=COC5=CC=C4.Cl
InChIKey of Enadoline hydrochloride (CAS NO.124439-07-2) : ZVVAINSYJGRDTR-DPEZEUIVSA-N

Toxicity Data With Reference

1.    

ims-hmn TDLo:1287 ng/kg/3W-I:SYS

     JCPCBR    Journal of Clinical Pharmacology. 34 (1994),1126.

Safety Profile

Human systemic effects by intramuscular route: urine volume increased, changes in urine composition. When heated to decomposition it emits toxic vapors of NOx and HCl.

Specification

 Enadoline hydrochloride (CAS NO.124439-07-2) is also called 4-Benzofuranacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-
oxaspiro(4.5)dec-8-yl)-, monohydrochloride, (5R-(5alpha,7alpha,8beta))- ; CAM 570 ; CI 977 ; Enadoline HCl ; N-Methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-4-benzofuranacetamide monohydrochloride ; NIH 10672 ; PD 129290 ; UNII-086I9HO04E ; 4-Benzofuranacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-
oxaspiro(4.5)dec-8-yl)-, monohydrochloride .