Identiteet

Eletriptan Impurity L / Eletriptan N-Oxide

CAS 1217641-89-8 · C22H26N2O3S

01Identiteet

Lazychem IDLC-13869
CAS RN1217641-89-8
PubChem CID29979307
Molecular formulaC22H26N2O3S
Molecular weight398.52
IUPAC name3-[[(2R)-1-Methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indole N-Oxide
InChIKeyQXXCIRSBRHOOJE-PHSANKKPSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 29979307
Two-dimensional chemical structure of Eletriptan Impurity L / Eletriptan N-Oxide, CAS 1217641-89-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[N+]1(CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4)[O-]
InChIPole loetletud

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Eletriptan

Lisandid ja seotud ühendid

Nimed ja seosed

  • Eletriptan Impurity L
  • Eletriptan N-Oxide
  • 1217641-89-8
  • 7RGQ9Y9CLH
  • 1H-Indole, 3-(((2R)-1-methyl-1-oxido-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-
  • 3-(((2R)-1-Methyl-1-oxido-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole
  • RefChem:200768
  • UNII-7RGQ9Y9CLH
  • (1R,2R)-Eletriptan N-Oxide
  • (1S,2R)-Eletriptan N-Oxide
  • 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]methyl]-1H-indole
  • 1408337-88-1

Lisandid ja seotud ühendid

06Allikad