Sumatriptan Amine Impurity

CAT: 1299-RM-S132010-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S132010-02Size:25 mg

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CAS Number

109903-35-7

Synonyms

4-Aminophenyl-N-methyl-methanesulfonamide

Molecular Formula

C8H12N2O2S

Molecular Weight

200.26

Target Alternative Name

Sumatriptan

Product Name Synonym

4-Aminophenyl-N-methyl-methanesulfonamide

Chemical Information

4-Amino-N-methylbenzenemethanesulfonamide

CAS Number	109903-35-7
PubChem CID	2778131
IUPAC Name	1-(4-aminophenyl)-N-methylmethanesulfonamide
Molecular Formula	C8H12N2O2S
Molecular Weight	200.26
XLogP	0.1
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	237

SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)N

InChI

InChI=1S/C8H12N2O2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3

InChIKey

CIWNHTXCBHTWRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109903-35-7

CID: 2778131

Formula: C8H12N2O2S

MW: 200.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.26
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	200.06194880
Monoisotopic Mass	200.06194880
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	237
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-S132011-01	Sumatriptan Chloro Impurity
RM-S132009-01	Sumatriptan Hydrazine Impurity
RM-S132014-01	Sumatriptan Impurity 14
RM-S132015-01	Sumatriptan Impurity 15
RM-S132012-01	Sumatriptan Impurity 12
RM-S132001-01	Sumatriptan EP Impurity A
RM-S132005-01	Sumatriptan EP Impurity E
RM-S132002-01	Sumatriptan EP Impurity B
RM-S132006-01	Sumatriptan EP Impurity F
RM-S132004-01	Sumatriptan EP Impurity D

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