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98123-83-2

98123-83-2 | Pyrazino[2,1-a][2]benzazepin-4(1H)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-

CAS No: 98123-83-2 Catalog No: AG0015I2 MDL No:

Product Description

Catalog Number:
AG0015I2
Chemical Name:
Pyrazino[2,1-a][2]benzazepin-4(1H)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-
CAS Number:
98123-83-2
Molecular Formula:
C20H26N2O2
Molecular Weight:
326.4326
IUPAC Name:
2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
InChI:
InChI=1S/C20H26N2O2/c23-19-14-21(20(24)16-8-2-1-3-9-16)13-18-17-11-5-4-7-15(17)10-6-12-22(18)19/h4-5,7,11,16,18H,1-3,6,8-10,12-14H2
InChI Key:
LGUDKOQUWIHXOV-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=O)N2C(C1)c1ccccc1CCC2)C1CCCCC1

Properties

Complexity:
486  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.199g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.44g/mol
Monoisotopic Mass:
326.199g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Literature

Title Journal
[Efficacy evaluation of epsiprantel (Cestex) against Echinococcus mutilocularis in dogs and cats]. Berliner und Munchener tierarztliche Wochenschrift 20010101

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