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83275-56-3

83275-56-3 | {[3-(4-methylbenzoyl)-1-benzofuran-5-yl]oxy}acetic acid

CAS No: 83275-56-3 Catalog No: AG004XH1 MDL No:MFCD00870638

Product Description

Catalog Number:
AG004XH1
Chemical Name:
{[3-(4-methylbenzoyl)-1-benzofuran-5-yl]oxy}acetic acid
CAS Number:
83275-56-3
Molecular Formula:
C18H14O5
Molecular Weight:
310.3008
MDL Number:
MFCD00870638
IUPAC Name:
ethyl N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
InChI:
InChI=1S/C21H25N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26)
InChI Key:
KJAMZCVTJDTESW-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc2c(c1)c(co2)C(=O)c1ccc(cc1)C
UNII:
9UUO2T61K7

Properties

Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.19g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
367.449g/mol
Monoisotopic Mass:
367.19g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
[Antiarrhythmic action of 3-carbethoxyamino-5-dimethylaminoacetyl-iminodibenzyl hydrochloride (Bonnecor, AWD 19-166, GS -15) on experimental arrhythmia induced by aconitin, ouabain, calcium chloride and barium chloride]. Die Pharmazie 19851201

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