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Home > Indoles and Oxindole > 112192-04-8
112192-04-8 | Roxindole hydrochloride
CAS No: 112192-04-8 Catalog No: AG007C0Z MDL No:
Product Description
Catalog Number:
AG007C0Z
Chemical Name:
Roxindole hydrochloride
CAS Number:
112192-04-8
Molecular Formula:
C23H27ClN2O
Molecular Weight:
382.9263
IUPAC Name:
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
InChI:
InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
InChI Key:
HGEYJZMMUGWEOT-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2.Cl
UNII:
43227SMS0O
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.205g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.474g/mol
Monoisotopic Mass:
346.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Molecular modeling study of 4-phenylpiperazine and 4-phenyl-1,2,3,6-tetrahydropyridine derivatives: a new step towards the design of high-affinity 5-HT1A ligands. | Bioorganic & medicinal chemistry letters 20100201 |
| Opioid and monoamine systems mediate the discriminative stimulus of tramadol in rats. | European journal of pharmacology 20040913 |
| Indolebutylamines as selective 5-HT(1A) agonists. | Journal of medicinal chemistry 20040909 |
| Differential actions of antiparkinson agents at multiple classes of monoaminergic receptor. I. A multivariate analysis of the binding profiles of 14 drugs at 21 native and cloned human receptor subtypes. | The Journal of pharmacology and experimental therapeutics 20021101 |
| Differential actions of antiparkinson agents at multiple classes of monoaminergic receptor. II. Agonist and antagonist properties at subtypes of dopamine D(2)-like receptor and alpha(1)/alpha(2)-adrenoceptor. | The Journal of pharmacology and experimental therapeutics 20021101 |
| Differential actions of antiparkinson agents at multiple classes of monoaminergic receptor. III. Agonist and antagonist properties at serotonin, 5-HT(1) and 5-HT(2), receptor subtypes. | The Journal of pharmacology and experimental therapeutics 20021101 |
| A simple procedure for synthesis of roxindole, a dopamine D2-receptor agonist. | Archiv der Pharmazie 20010701 |
| Nonlinear analysis of partial dopamine agonist effects on cAMP in C6 glioma cells. | Journal of pharmacological and toxicological methods 20010101 |
| Actions of roxindole at recombinant human dopamine D2, D3 and D4 and serotonin 5-HT1A, 5-HT1B and 5-HT1D receptors. | Naunyn-Schmiedeberg's archives of pharmacology 19990601 |
| Roxindole, a potential antidepressant. I. Effect on the dopamine system. | Journal of neural transmission (Vienna, Austria : 1996) 19960101 |
| Treatment of Parkinson's disease with the partial dopamine agonist EMD 49980. | Movement disorders : official journal of the Movement Disorder Society 19930401 |
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