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donitriptan , G protein-coupled receptor 44 antagonist, CAS No.170912-52-4, G protein-coupled receptor 44 antagonist
Basic Description
Synonyms | Donitriptan|170912-52-4|Donitriptan [INN]|4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile|70968BVH2J|1-(((3-(2-Aminoethyl)indol-5-yl)oxy)acetyl)-4-(p-cyanophenyl)piperazine|UNII-70968BVH2J|2-[5-[2-[4-(4-cyanophenyl)piperazi |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | AGONIST |
Mechanism of action | G protein-coupled receptor 44 antagonist |
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Names and Identifiers
IUPAC Name | 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile |
INCHI | InChI=1S/C23H25N5O2/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 |
InChi Key | SOHCKWZVTCTQBG-UHFFFAOYSA-N |
Canonical SMILES | C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN |
Isomeric SMILES | C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN |
Alternate CAS | 170912-52-4 |
PubChem CID | 197706 |
MeSH Entry Terms | 4-(4-(2-(2-aminoethyl-1H-indol-5-yloxyl)acetyl)piperazinyl-1-yl)benzonitrile;donitriptan;F 11356;F 12640;F-12640;F11356;F12640 |
Molecular Weight | 403.5 |
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