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Donitriptan

CAT: 0013-GTR19176790-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176790-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Donitriptan is a potent and selective agonist for 5-HT1B and 5-HT1D receptors, exhibiting pKi values of 9.4 and 9.3, respectively. This compound is a valuable research tool for studying serotonergic pathways in models of migraine and neurovascular disorders, applicable in both in vitro and in vivo experimental settings.
CAS Number
170912-52-4
Product Name Alternative
Inhibit, Inhibitor, 5-HT1B, 5-HT1D, 5-HT1D Receptor, 5-HT1B Receptor, 5-HT Receptor, 5HT Receptor, 5-hydroxytryptamine Receptor, 5HTReceptor, Donitriptan, pki, Serotonin Receptor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.34% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (8.18 mM) ; DMSO:245 mg/mL (607.22 mM)
Smiles
NCCc1c[nH]c2ccc (OCC (=O) N3CCN (CC3) c3ccc (cc3) C#N) cc12
Molecular Formula
C23H25N5O2
Molecular Weight
403.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Donitriptan

Donitriptan is a small molecule drug. The usage of the INN stem '-triptan' in the name indicates that Donitriptan is a sumatriptan derivative serotonin (5HT1​) receptor agonist. Donitriptan has a monoisotopic molecular weight of 403.2 Da.

CAS Number170912-52-4
PubChem CID197706
IUPAC Name4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
Molecular FormulaC23H25N5O2
Molecular Weight403.5
XLogP2.2
Topological Polar Surface Area98.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity618
SMILES
C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN
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
InChIKey
SOHCKWZVTCTQBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Donitriptan
CAS: 170912-52-4
CID: 197706
Formula: C23H25N5O2
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass403.20082506
Monoisotopic Mass403.20082506
Topological Polar Surface Area98.4 Ų
Heavy Atom Count30
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-106157-01Donitriptan
T27196-01Donitriptan Mesylate
MBS5773153Donitriptan hydrochloride
A13145-100Donitriptan 100mg
A13145-50Donitriptan 50mg
A13145-1Donitriptan 1mg
HY-103091Donitriptan (hydrochloride)
A13145-10Donitriptan 10mg
A13145-2Donitriptan 2mg
HY-106157ADonitriptan (mesylate)

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