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Eletriptan 25mg

CAT: 0628-A13075-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A13075-25Size:25 mg
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CAS Number
143322-58-1

Chemical Information

Eletriptan

Eletriptan is an N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. It has a role as a non-steroidal anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is a member of indoles, a sulfone and a N-alkylpyrrolidine. It is a conjugate base of an eletriptan(1+).

CAS Number143322-58-1
PubChem CID77993
IUPAC Name5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
Molecular FormulaC22H26N2O2S
Molecular Weight382.5
XLogP4.1
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity582
SMILES
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O2S/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/t19-/m1/s1
InChIKey
PWVXXGRKLHYWKM-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Eletriptan
CAS: 143322-58-1
CID: 77993
Formula: C22H26N2O2S
MW: 382.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass382.17149925
Monoisotopic Mass382.17149925
Topological Polar Surface Area61.6 Ų
Heavy Atom Count27
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 Count1
Compound Is CanonicalizedYes

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CatalogName
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