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Donitriptan hydrochloride

CAT: 0013-GTR19173691-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173691-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Donitriptan hydrochloride is a potent and efficacious agonist at 5-HT1B and 5-HT1D receptors, with pKi values of 9.4 and 9.3. It is utilized in research to study migraine pathophysiology and serotonin receptor signaling in both in vitro binding assays and in vivo models.
CAS Number
170911-68-9
Product Name Alternative
5HT Receptor, 5HTReceptor, 5-HT, Donitriptan, Donitriptan HCl, Donitriptan Hydrochloride, Donitriptan Monohydrochloride, Donitriptan monohydrochloride
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.80% (May vary between batches)
Solubility
DMSO:4.4 mg/mL (10 mM)
Smiles
Cl.N#CC1=CC=C (C=C1) N2CCN (C (=O) COC=3C=CC=4NC=C (C4C3) CCN) CC2
Molecular Formula
C23H26ClN5O2
Molecular Weight
439.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

F 11356
CAS Number170911-68-9
PubChem CID197705
IUPAC Name4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;hydrochloride
Molecular FormulaC23H26ClN5O2
Molecular Weight439.9
Topological Polar Surface Area98.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity618
SMILES
C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN.Cl
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
InChIKey
ZXENQGQAPOYDOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of F 11356
CAS: 170911-68-9
CID: 197705
Formula: C23H26ClN5O2
MW: 439.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass439.1775028
Monoisotopic Mass439.1775028
Topological Polar Surface Area98.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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