Eletriptan Impurity 5

CAT: 1596-AR-E01172-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E01172-01Size:10 Units

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CAS Number

3405-93-4

Synonyms

N, N-dimethyl-2- (phenylsulfonyl) ethanamine; Ethanamine, N, ?N-?dimethyl-?2-? (phenylsulfonyl) ?-; N, N-Dimethyl-2- (phenylsulfonyl) ethanamine

Molecular Formula

C10H15NO2S

Molecular Weight

213.3

API Name

Eletriptan

Chemical Information

N,N-Dimethyl-2-(phenylsulfonyl)ethanamine

CAS Number	3405-93-4
PubChem CID	13969022
IUPAC Name	2-(benzenesulfonyl)-N,N-dimethylethanamine
Molecular Formula	C10H15NO2S
Molecular Weight	213.30
XLogP	1.2
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	248

SMILES

CN(C)CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H15NO2S/c1-11(2)8-9-14(12,13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChIKey

JWDDTXKJYCAQLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3405-93-4

CID: 13969022

Formula: C10H15NO2S

MW: 213.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.30
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	213.08234989
Monoisotopic Mass	213.08234989
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	248
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-E201609-01	Eletriptan Impurity 9
CS-O-06095	Eletriptan N-Oxide Impurity
sc-499483	Eletriptan Dimer-M Impurity
CS-O-41021	N-Nitroso desmethyl Eletriptan impurity
T0216L-01	Eletriptan
275582-01	Eletriptan hydrobromide
448123-01	Eletriptan Pseudodimer
MBS577704	Eletriptan HBr
A13075-5	Eletriptan 5mg
CS-EV-00010	Eletriptan-d3