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1259305-29-7 | Dodecanoic acid, [7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2-oxo-1(2H)-quinolinyl]methyl ester
CAS No: 1259305-29-7 Catalog No: AG000OZ0 MDL No:
Product Description
Catalog Number:
AG000OZ0
Chemical Name:
Dodecanoic acid, [7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2-oxo-1(2H)-quinolinyl]methyl ester
CAS Number:
1259305-29-7
Molecular Formula:
C36H51Cl2N3O4
Molecular Weight:
660.7138
IUPAC Name:
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl dodecanoate
InChI:
InChI=1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3
InChI Key:
DDINXHAORAAYAD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCN1C(=O)CCc2c1cc(OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl)cc2
UNII:
B786J7A343
Properties
Complexity:
858
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
659.326g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
660.721g/mol
Monoisotopic Mass:
659.326g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
Literature
| Title | Journal |
|---|---|
| Aripiprazole Lauroxil Long-Acting Injectable: The Latest Addition to Second-Generation Long-Acting Agents. | Clinical schizophrenia & related psychoses 20160101 |
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