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Naratriptan N-oxide

CAT: 1596-AR-N01154-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01154-03Size:50 Units
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CAS Number
1159977-52-2
Synonyms
1-methyl-4- (5- (2- (N-methylsulfamoyl) ethyl) -1H-indol-3-yl) piperidine1-oxide; N-Nethyl-3- (1-methyl-1-oxido-4-piperidinyl) -1H-indole-5-ethanesulfonamide
Molecular Formula
C17H25N3O3S
Molecular Weight
351.47
API Name
Naratriptan

Chemical Information

Naratriptan N-Oxide

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CAS Number1159977-52-2
PubChem CID46782454
IUPAC NameN-methyl-2-[3-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-1H-indol-5-yl]ethanesulfonamide
Molecular FormulaC17H25N3O3S
Molecular Weight351.5
XLogP1.4
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity526
SMILES
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CC[N+](CC3)(C)[O-]
InChI
InChI=1S/C17H25N3O3S/c1-18-24(22,23)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2,21)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
InChIKey
CIRYHRZTATXPEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naratriptan N-Oxide
CAS: 1159977-52-2
CID: 46782454
Formula: C17H25N3O3S
MW: 351.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass351.16166284
Monoisotopic Mass351.16166284
Topological Polar Surface Area88.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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TRC-N378737-25MGNaratriptan N-Methiodide-13CD3
MBS6038667-01N-(Indole)nitroso Naratriptan
CS-O-54280N, N-dinitroso Naratriptan dimer impurity
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