Identidad

Sumatriptan 3-Hydroxy-2-Oxo Impurity/ Sumatriptan Hydroxy-Oxindole Impurity

CAS 2250254-19-2 · C14H21N3O4S

01Identidad

Lazychem IDLC-28644
CAS RN2250254-19-2
PubChem CID129011935
Molecular formulaC14H21N3O4S
Molecular weight327.40 g/mol
IUPAC name1-(3-(2-(Dimethylamino)ethyl)-3-hydroxy-2-oxoindolin-5-yl)-N-methylmethanesulfonamide
InChIKeyFLAQITBAWQMBLR-UHFFFAOYSA-N

02Estructura y estereoquímica

2D structurePubChem CID 129011935
Two-dimensional chemical structure of Sumatriptan 3-Hydroxy-2-Oxo Impurity/ Sumatriptan Hydroxy-Oxindole Impurity, CAS 2250254-19-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count2
Secondary amines0
Tertiary amines1
SMILESCNS(=O)(=O)CC1=CC2=C(C=C1)NC(=O)C2(CCN(C)C)O
InChINo indicado

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Estado en India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nombres y relaciones

API y fármaco de origen

Sumatriptan

Impurezas y compuestos relacionados

Nombres y relaciones

  • Sumatriptan 3-Hydroxy-2-Oxo Impurity
  • Sumatriptan Hydroxy-Oxindole Impurity
  • 3-[2-(Dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-N-methyl-2-oxo-1H-indole-5-methanesulfonamide

Impurezas y compuestos relacionados

06Fuentes