Naratriptan Impurity 3

CAT: 1299-RM-N011829-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N011829-04Size:100 mg

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CAS Number

1346746-73-3

Synonyms

2,2'- (3- (1-methylpiperidin-4-yl) -1H-indole-1,5-diyl) bis (N-methylethane-1-sulfonamide)

Molecular Formula

C20H32N4O4S2

Molecular Weight

456.62

Target Alternative Name

Naratriptan

Product Name Synonym

2,2'- (3- (1-methylpiperidin-4-yl) -1H-indole-1,5-diyl) bis (N-methylethane-1-sulfonamide)

Chemical Information

1-(2-(N-Methylsulfamoyl)ethyl) naratriptan

CAS Number	1346746-73-3
PubChem CID	71750570
IUPAC Name	N-methyl-2-[3-(1-methylpiperidin-4-yl)-1-[2-(methylsulfamoyl)ethyl]indol-5-yl]ethanesulfonamide
Molecular Formula	C20H32N4O4S2
Molecular Weight	456.6
XLogP	1
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	30
Formal Charge	0
Complexity	755

SMILES

CNS(=O)(=O)CCC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)C)CCS(=O)(=O)NC

InChI

InChI=1S/C20H32N4O4S2/c1-21-29(25,26)12-8-16-4-5-20-18(14-16)19(17-6-9-23(3)10-7-17)15-24(20)11-13-30(27,28)22-2/h4-5,14-15,17,21-22H,6-13H2,1-3H3

InChIKey

IFLHJTWEUSQXKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1346746-73-3

CID: 71750570

Formula: C20H32N4O4S2

MW: 456.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	456.6
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	456.18649786
Monoisotopic Mass	456.18649786
Topological Polar Surface Area	117 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	755
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-N011828-01	Naratriptan Impurity 2
RM-N011830-01	Naratriptan Impurity 4
RM-N011800-01	Naratriptan
RM-N011827-01	Naratriptan D3 Hydrochloride
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-A042503-01	Doxorubicinol Impurity 3
RM-C061729-01	Cefoperazone Impurity 3
RM-A220103-01	Avatrombopag Impurity 3
RM-V090103-01	Vincamine Impurity 3
RM-M040129-01	Midazolam Impurity 3

Catalog	Name
AR-N01912-01	Naratriptan impurity
AR-N01898-01	Naratriptan Impurity F
AR-N01157-01	Naratriptan Impurity C
AR-N01159-01	Naratriptan Impurity E
TRC-D449205-10MG	3,4-Dihydro Naratriptan (Naratriptan Impurity B)
AR-N01158-01	Naratriptan Impurity D Iodide
AR-N09025-01	Naratriptan Impurity 17 Iodide
AR-N09024-01	Naratriptan Nitroso Impurity 4
AR-N01907-01	Naratriptan Impurity 17 Chloride
272280-01	3,4-Dihydro naratriptan (naratriptan impurity B) discontinued