Sumatriptan EP Impurity B

CAT: 1299-RM-S132002-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S132002-04Size:100 mg

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CAS Number

88919-51-1

Synonyms

N-methyl-1- (3- (2- (methylamino) ethyl) -1H-indol-5-yl) methanesulfonamide

Molecular Formula

C13H19N3O2S

Molecular Weight

281.37

Target Alternative Name

Sumatriptan

Product Name Synonym

N-methyl-1- (3- (2- (methylamino) ethyl) -1H-indol-5-yl) methanesulfonamide

Chemical Information

Monodesmethyl sumatriptan

CAS Number	88919-51-1
PubChem CID	10826690
IUPAC Name	N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
Molecular Formula	C13H19N3O2S
Molecular Weight	281.38
XLogP	0.5
Topological Polar Surface Area	82.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	380

SMILES

CNCCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NC

InChI

InChI=1S/C13H19N3O2S/c1-14-6-5-11-8-16-13-4-3-10(7-12(11)13)9-19(17,18)15-2/h3-4,7-8,14-16H,5-6,9H2,1-2H3

InChIKey

YDTVAJYBEHCVJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88919-51-1

CID: 10826690

Formula: C13H19N3O2S

MW: 281.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.38
XLogP3	0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	281.11979803
Monoisotopic Mass	281.11979803
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	380
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-S132001-01	Sumatriptan EP Impurity A
RM-S132004-01	Sumatriptan EP Impurity D
RM-S132003-01	Sumatriptan EP Impurity C
RM-S132007-01	Sumatriptan EP Impurity G
RM-S132008-01	Sumatriptan EP Impurity H
RM-S132005-01	Sumatriptan EP Impurity E
RM-S132006-01	Sumatriptan EP Impurity F
RM-C061202-01	Cefalexin EP Impurity B; Cefadroxil EP Impurity B; Cefradine EP Impurity A
RM-I140401-01	Indometacin EP Impurity A; Bezafibrate EP Impurity B; Acemetacin EP Impurity A; Clopamide EP Impurity B
RG-C180501-01	Amylmetacresol EP Impurity B; Metacresol EP Impurity B

Catalog	Name
TRC-S810005-5MG	Sumatriptan Hydroxy-Oxindole Impurity (Sumatriptan Impurity 1)
AR-S02113-01	Sumatriptan Impurity 3
AR-S02125-01	Sumatriptan Impurity 5
AR-S09412-01	Sumatriptan Nitroso Impurity
AR-S02114-01	Sumatriptan EP Impurity A
FS173350-01	Sumatriptan impurity H
AR-S11057-01	Sumatriptan Impurity 15
TRC-S810020-100MG	Sumatriptan Hydroxy-Oxindole Impurity Hydrochloride (Sumatriptan Impurity 1)
AR-B08157-01	Sumatriptan Impurity 10
AR-S09366-01	Sumatriptan Impurity 1