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Eletriptan (hydrobromide)

CAT: 0804-HY-A0010-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-A0010-01Size:5 mg
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Description
Eletriptan hydrobromide (Eletriptan HBr) is a 5-HT1B and 5-HT1D receptor agonist with antimigraine activity, with Ki of 0.92 nM and 3.14 nM, respectively[1][2][3][4][5][6].
CAS Number
177834-92-3
Product Name Alternative
Eletriptan HBr; UK-116044 (hydrobromide)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Eletriptan-hydrobromide.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(CCC1=CC2=C(NC=C2C[C@@H]3N(CCC3)C)C=C1)(C4=CC=CC=C4)=O.Br
Molecular Formula
C22H27BrN2O2S
Molecular Weight
463.43
Precautions
H302, H315, H319, H335
References & Citations
[1]Napier C, et al. Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors. Eur J Pharmacol, 1999, 368 (2-3), 259-268.|[2]MaassenVanDenBrink A, et al. Craniovascular selectivity of eletriptan and sumatriptan in human isolated blood vessels. Neurology, 2000, 55 (10), 1524-1530.|[3]Gupta P, et al. The in vivo pharmacological profile of eletriptan (UK-116,044) : a potent and novel 5-HT (1B/1D) receptor agonist. Eur J Pharmacol, 2000, 398 (1), 73-81.|[4]Hoskin KL, et al. The 5-hydroxytryptamine1B/1D/1F receptor agonists eletriptan and naratriptan inhibit trigeminovascular input to the nucleus tractus solitarius in the cat. Brain Res, 2004, 998 (1), 91-99.|[5]Willems E, et al. Porcine carotid vascular effects of eletriptan (UK-116,044) : a new 5-HT1B/1D receptor agonist with anti-migraine activity[J]. Naunyn-Schmiedeberg's archives of pharmacology, 1998, 358: 212-219.|[6]Johnson D E, et al. Serotonergic effects and extracellular brain levels of eletriptan, zolmitriptan and sumatriptan in rat brain[J]. European journal of pharmacology, 2001, 425 (3) : 203-210.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
5-HT1 Receptor; mLAG-3

Chemical Information

Eletriptan Hydrobromide

Eletriptan hydrobromide is a hydrobromide. It has a role as a non-steroidal anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It contains an eletriptan(1+).

CAS Number177834-92-3
PubChem CID656631
IUPAC Name5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide
Molecular FormulaC22H27BrN2O2S
Molecular Weight463.4
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity582
SMILES
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br
InChI
InChI=1S/C22H26N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H/t19-;/m1./s1
InChIKey
UTINOWOSWSPFLJ-FSRHSHDFSA-N
Chemical Structure
2D Structure
2D structure of Eletriptan Hydrobromide
CAS: 177834-92-3
CID: 656631
Formula: C22H27BrN2O2S
MW: 463.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass462.09766
Monoisotopic Mass462.09766
Topological Polar Surface Area61.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
275582-01Eletriptan hydrobromide
A11418-5Eletriptan hydrobromide 5mg
A11418-100Eletriptan hydrobromide 100mg
A11418-10Eletriptan hydrobromide 10mg
A11418-2Eletriptan hydrobromide 2mg
A11418-500Eletriptan hydrobromide 500mg
A11418-50Eletriptan hydrobromide 50mg
A11418-25Eletriptan hydrobromide 25mg
A11418-200Eletriptan hydrobromide 200mg
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