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Home > Indoles and Oxindole > 151140-96-4
151140-96-4 | 1H-Indole-5-methanesulfonamide, 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-
CAS No: 151140-96-4 Catalog No: AG001N4I MDL No:
Product Description
Catalog Number:
AG001N4I
Chemical Name:
1H-Indole-5-methanesulfonamide, 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-
CAS Number:
151140-96-4
Molecular Formula:
C22H30N6O3S
Molecular Weight:
458.5770
IUPAC Name:
1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
InChI:
InChI=1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3
InChI Key:
WRZVGHXUPBWIOO-UHFFFAOYSA-N
SMILES:
COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC
UNII:
6RS056L04P
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.21g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
458.581g/mol
Monoisotopic Mass:
458.21g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Acute migraine therapy: new drugs and new approaches. | Current treatment options in neurology 20110201 |
| Triptan drugs, natural killer cell cytotoxicity, and neutrophils pro-matrix metalloproteinase-9 secretion. | Headache 20080101 |
| Food-drug interactions. | Drugs 20020101 |
| [Myocardial tolerance to arrhythmogenic exposure and pharmacological activation of K(ATP)-channels in rats]. | Eksperimental'naia i klinicheskaia farmakologiia 20010101 |
| Safety trial with the 5HT1B/1D agonist avitriptan (BMS-180048) in patients with migraine who have experienced pressure, tightness, and/or pain in the chest, neck, and/or throat following sumatriptan. | Cephalalgia : an international journal of headache 19981001 |
| Coronary side-effect potential of current and prospective antimigraine drugs. | Circulation 19980707 |
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