Sumatriptan Impurity 12

CAT: 1299-RM-S132012-03Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-S132012-03Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2250254-19-2

Synonyms

1- (3- (2- (dimethylamino) ethyl) -3-hydroxy-2-oxoindolin-5-yl) -N-methylmethanesulfonamide

Molecular Formula

C14H21N3O4S

Molecular Weight

327.4

Target Alternative Name

Sumatriptan

Product Name Synonym

1- (3- (2- (dimethylamino) ethyl) -3-hydroxy-2-oxoindolin-5-yl) -N-methylmethanesulfonamide

Chemical Information

Sumatriptan Hydroxy-Oxindole Impurity (Sumatriptan Impurity 1)

CAS Number	2250254-19-2
PubChem CID	129011935
IUPAC Name	1-[3-[2-(dimethylamino)ethyl]-3-hydroxy-2-oxo-1H-indol-5-yl]-N-methylmethanesulfonamide
Molecular Formula	C14H21N3O4S
Molecular Weight	327.40
XLogP	-0.7
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	517

SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC(=O)C2(CCN(C)C)O

InChI

InChI=1S/C14H21N3O4S/c1-15-22(20,21)9-10-4-5-12-11(8-10)14(19,13(18)16-12)6-7-17(2)3/h4-5,8,15,19H,6-7,9H2,1-3H3,(H,16,18)

InChIKey

FLAQITBAWQMBLR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2250254-19-2

CID: 129011935

Formula: C14H21N3O4S

MW: 327.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.40
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	327.12527733
Monoisotopic Mass	327.12527733
Topological Polar Surface Area	107 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	517
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-S132010-01	Sumatriptan Amine Impurity
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-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