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Home > Indoles and Oxindole > 119742-13-1
119742-13-1 | 1H-Indol-5-ol, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, methanesulfonate (1:1)
CAS No: 119742-13-1 Catalog No: AG000PM1 MDL No:
Product Description
Catalog Number:
AG000PM1
Chemical Name:
1H-Indol-5-ol, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, methanesulfonate (1:1)
CAS Number:
119742-13-1
Molecular Formula:
C24H30N2O4S
Molecular Weight:
442.5710
IUPAC Name:
methanesulfonic acid;3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
InChI:
InChI=1S/C23H26N2O.CH4O3S/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;1-5(2,3)4/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2;1H3,(H,2,3,4)
InChI Key:
ACXQCFGTCOWPAQ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2
UNII:
WCW8374DTW
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.193g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
442.574g/mol
Monoisotopic Mass:
442.193g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Indolebutylamines as selective 5-HT(1A) agonists. | Journal of medicinal chemistry 20040909 |
| 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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