Chemical identity

Eletriptan Impurity L / Eletriptan N-Oxide

CAS 1217641-89-8 · C22H26N2O3S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

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

02Structure identifiers

2D structurePubChem CID 29979307
2D structure: Eletriptan Impurity L / Eletriptan N-Oxide, CAS 1217641-89-8
Structure of Eletriptan Impurity L / Eletriptan N-Oxide (CAS 1217641-89-8). LazyChem record. Source identity: PubChem CID 29979307. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H26N2O3S
InChIKeyQXXCIRSBRHOOJE-PHSANKKPSA-N
Ring count4
Defined stereocentres1
Unassigned stereocentres1
SMILESC[N+]1(CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4)[O-]
InChIInChI=1S/C22H26N2O3S/c1-24(25)12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-28(26,27)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-,24?/m1/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres12D structure
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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1217641-89-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1217641-89-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Eletriptan

View API and impurity family

Other names

  • Eletriptan Impurity L
  • Eletriptan N-Oxide
  • 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
  • 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

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources