Sumatriptan EP Impurity E

CAT: 1299-RM-S132005-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S132005-01Size:10 mg

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CAS Number

88919-22-6

Synonyms

1- (3- (2-aminoethyl) -1H-indol-5-yl) -N-methylmethanesulfonamide

Molecular Formula

C12H17N3O2S

Molecular Weight

267.35

Target Alternative Name

Sumatriptan

Product Name Synonym

1- (3- (2-aminoethyl) -1H-indol-5-yl) -N-methylmethanesulfonamide

Chemical Information

Didesmethyl sumatriptan

CAS Number	88919-22-6
PubChem CID	9813988
IUPAC Name	1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
Molecular Formula	C12H17N3O2S
Molecular Weight	267.35
XLogP	0
Topological Polar Surface Area	96.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	366

SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN

InChI

InChI=1S/C12H17N3O2S/c1-14-18(16,17)8-9-2-3-12-11(6-9)10(4-5-13)7-15-12/h2-3,6-7,14-15H,4-5,8,13H2,1H3

InChIKey

MURZXKIEJFJMPP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88919-22-6

CID: 9813988

Formula: C12H17N3O2S

MW: 267.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.35
XLogP3	0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	267.10414797
Monoisotopic Mass	267.10414797
Topological Polar Surface Area	96.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	366
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-S132002-01	Sumatriptan EP Impurity B
RM-S132006-01	Sumatriptan EP Impurity F
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-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-P182605-01	Prazosin EP Impurity E; Doxazosin EP Impurity H; Terazosin EP Impurity E

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