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145544-79-2 | Ethanone, 2-(3,4-dichlorophenyl)-1-[3,4,6,7-tetrahydro-4-(1-pyrrolidinylmethyl)-5H-imidazo[4,5-c]pyridin-5-yl]-
CAS No: 145544-79-2 Catalog No: AG001D6E MDL No:
Product Description
Catalog Number:
AG001D6E
Chemical Name:
Ethanone, 2-(3,4-dichlorophenyl)-1-[3,4,6,7-tetrahydro-4-(1-pyrrolidinylmethyl)-5H-imidazo[4,5-c]pyridin-5-yl]-
CAS Number:
145544-79-2
Molecular Formula:
C19H22Cl2N4O
Molecular Weight:
393.3102
IUPAC Name:
2-(3,4-dichlorophenyl)-1-[4-(pyrrolidin-1-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
InChI:
InChI=1S/C19H22Cl2N4O/c20-14-4-3-13(9-15(14)21)10-18(26)25-8-5-16-19(23-12-22-16)17(25)11-24-6-1-2-7-24/h3-4,9,12,17H,1-2,5-8,10-11H2,(H,22,23)
InChI Key:
CJLJXCDVYJKDTR-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1CN1CCCC1)[nH]cn2)Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.312g/mol
Monoisotopic Mass:
392.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| The antitussive activity of delta-opioid receptor stimulation in guinea pigs. | The Journal of pharmacology and experimental therapeutics 20000201 |
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