Eletriptan 50mg

CAT: 0628-A13075-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13075-50Size:50 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 Number	143322-58-1
PubChem CID	77993
IUPAC Name	5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
Molecular Formula	C22H26N2O2S
Molecular Weight	382.5
XLogP	4.1
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	582

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

CAS: 143322-58-1

CID: 77993

Formula: C22H26N2O2S

MW: 382.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	382.5
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	382.17149925
Monoisotopic Mass	382.17149925
Topological Polar Surface Area	61.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	582
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A11418-500	Eletriptan hydrobromide 500mg
A11418-25	Eletriptan hydrobromide 25mg

Alternative Products

Catalog	Name
T0216L-01	Eletriptan
275582-01	Eletriptan hydrobromide
448123-01	Eletriptan Pseudodimer
MBS577704	Eletriptan HBr
AR-E01167-01	Ent-Eletriptan
CS-EV-00010	Eletriptan-d3
HY-A0010-01	Eletriptan (hydrobromide)

Eletriptan 50mg

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