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Eletriptan hydrobromide 2mg

CAT: 0628-A11418-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A11418-2Size:2 mg
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CAS Number
177834-92-3

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
HY-A0010-01Eletriptan (hydrobromide)
HY-A0010R-01Eletriptan (hydrobromide) (Standard)
T0216L-01Eletriptan
B2237-10Eletriptan HBr
448123-01Eletriptan Pseudodimer
AR-E01167-01Ent-Eletriptan

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