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Eletriptan HBr

CAT: 0607-B2237-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B2237-10Size:10 mg
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Description
selective 5-HT1B and 5-HT1D receptor agonist
CAS Number
177834-92-3
Product Name Alternative
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide
Field of Research
GPCR G protein 5-HT Receptor Neuroscience 5-HT Receptor
Purity
0.9872
Form
A solid
Solubility
≥23.17 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br
Molecular Formula
C22H27BrN2O2S
Molecular Weight
463.43
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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