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115199-84-3 | Benzeneacetamide, 3,4-dichloro-N-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]-, hydrochloride (1:1)
CAS No: 115199-84-3 Catalog No: AG000GEK MDL No:
Product Description
Catalog Number:
AG000GEK
Chemical Name:
Benzeneacetamide, 3,4-dichloro-N-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]-, hydrochloride (1:1)
CAS Number:
115199-84-3
Molecular Formula:
C21H25Cl3N2O
Molecular Weight:
427.7950
IUPAC Name:
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
InChI:
InChI=1S/C21H24Cl2N2O.ClH/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17;/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3;1H/t20-;/m1./s1
InChI Key:
VFLWVWZSDBTGQJ-VEIFNGETSA-N
SMILES:
O=C(N([C@@H](c1ccccc1)CN1CCCC1)C)Cc1ccc(c(c1)Cl)Cl.Cl
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
426.103g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.794g/mol
Monoisotopic Mass:
426.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Central kappa opioid receptors modulate salt appetite in rats. | Physiology & behavior 20120625 |
| Chemical function-based pharmacophore generation of selective kappa-opioid receptor agonists by catalyst and phase. | Journal of molecular modeling 20090901 |
| The effect of kappa-opioid receptor agonists on tetrodotoxin-resistant sodium channels in primary sensory neurons. | Anesthesia and analgesia 20090801 |
| Opioid modulation of ferret vagal afferent mechanosensitivity. | American journal of physiology. Gastrointestinal and liver physiology 20080401 |
| Chronic pain induces anxiety with concomitant changes in opioidergic function in the amygdala. | Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology 20060401 |
| Effects of the long-lasting kappa opioid 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl) ethyl] acetamide in a drug discrimination and warm water tail-withdrawal procedure. | Behavioural pharmacology 20051201 |
| Arylacetamide kappa opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity. | Bioorganic & medicinal chemistry letters 20050516 |
| A bivalent ligand (KDAN-18) containing delta-antagonist and kappa-agonist pharmacophores bridges delta2 and kappa1 opioid receptor phenotypes. | Journal of medicinal chemistry 20050324 |
| Effect of repeated administration of TRK-820, a kappa-opioid receptor agonist, on tolerance to its antinociceptive and sedative actions. | Brain research 20040109 |
| Modulation of myofilament Ca2+ densitivity by delta- and kappa-opioid agonists in intact guinea pig hearts. | Anesthesia and analgesia 20030301 |
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