Home Nitriles 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile hydrochloride

4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile hydrochloride

CAS No.:
170911-68-9
Catalog Number:
AG00ADLR
Molecular Formula:
C23H26ClN5O2
Molecular Weight:
439.9378
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Product Description
Catalog Number:
AG00ADLR
Chemical Name:
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile hydrochloride
CAS Number:
170911-68-9
Molecular Formula:
C23H26ClN5O2
Molecular Weight:
439.9378
MDL Number:
MFCD09027358
IUPAC Name:
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;hydrochloride
InChI:
InChI=1S/C23H25N5O2.ClH/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;/h1-6,13,15,26H,7-12,16,24H2;1H
InChI Key:
ZXENQGQAPOYDOJ-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1cc(OCC(=O)N1CCN(CC1)c1ccc(cc1)C#N)cc2.Cl
UNII:
XTD13T14MR
Properties
Complexity:
618  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.178g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
439.944g/mol
Monoisotopic Mass:
439.178g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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Effects of donitriptan on carotid haemodynamics and cardiac output distribution in anaesthetized pigs. Cephalalgia : an international journal of headache 20020201
An in vivo rat model to study calcitonin gene related peptide release following activation of the trigeminal vascular system. Pain 20010501
Donitriptan (Pierre Fabre). Current opinion in investigational drugs (London, England : 2000) 20010301
F 11356, a novel 5-hydroxytryptamine (5-HT) derivative with potent, selective, and unique high intrinsic activity at 5-HT1B/1D receptors in models relevant to migraine. The Journal of pharmacology and experimental therapeutics 19990701
Properties