Sumatriptan EP Impurity D

CAT: 1299-RM-S132004-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S132004-02Size:25 mg

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CAS Number

212069-94-8

Synonyms

N, N-Dimethyl-2-[5-[ (methylsulphamoyl) methyl]-1H-indol-3-yl] ethanamine N-oxide

Molecular Formula

C14H21N3O3S

Molecular Weight

311.4

Target Alternative Name

Sumatriptan

Product Name Synonym

N, N-Dimethyl-2-[5-[ (methylsulphamoyl) methyl]-1H-indol-3-yl] ethanamine N-oxide

Chemical Information

GR-112504

CAS Number	212069-94-8
PubChem CID	57903461
IUPAC Name	N,N-dimethyl-2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethanamine oxide
Molecular Formula	C14H21N3O3S
Molecular Weight	311.40
XLogP	0.4
Topological Polar Surface Area	88.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	447

SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)[O-]

InChI

InChI=1S/C14H21N3O3S/c1-15-21(19,20)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2,3)18/h4-5,8-9,15-16H,6-7,10H2,1-3H3

InChIKey

GRHYJEBKFWDYFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 212069-94-8

CID: 57903461

Formula: C14H21N3O3S

MW: 311.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.40
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	311.13036271
Monoisotopic Mass	311.13036271
Topological Polar Surface Area	88.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	447
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-S132005-01	Sumatriptan EP Impurity E
RM-S132002-01	Sumatriptan EP Impurity B
RM-S132006-01	Sumatriptan EP Impurity F
RM-S132003-01	Sumatriptan EP Impurity C
RM-S132007-01	Sumatriptan EP Impurity G
RM-S132008-01	Sumatriptan EP Impurity H
RM-I161504-01	Isotretinoin EP Impurity D; Tretinoin EP Impurity D
RM-L202404-01	Levothyroxine EP Impurity D; Liothyronine EP Impurity D
RM-O132304-01	Omeprazole EP Impurity D; Esomeprazole 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