Identitate

Eletriptan Related Compound B (S-isomer)

CAS 208464-41-9 · C14H17BrN2

01Identitate

Lazychem IDLC-13874
CAS RN208464-41-9
PubChem CID25272002
Molecular formulaC14H17BrN2
Molecular weight293.2 g/mol
IUPAC name(S)-5-Bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole
InChIKeyJCXOJXALBTZEFE-LBPRGKRZSA-N

02Structură și stereochimie

2D structurePubChem CID 25272002
Two-dimensional chemical structure of Eletriptan Related Compound B (S-isomer), CAS 208464-41-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines1
SMILESCN1CCC[C@H]1CC2=CNC3=C2C=C(C=C3)Br
InChINu este indicat

03Stereochemistry

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

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

Published same-connectivity configurations

2 records

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.

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.

04Statut în India

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

05Denumiri și relații

API și medicament părinte

Eletriptan

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Denumiri și relații

  • 1H-Indole, 5-bromo-3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-
  • 5-bromo-3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-1H-Indole
  • 5-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
  • 5-bromo-3-(((s)-1-methylpyrrolidin-2-yl)methyl)-1h-indole

Impurități și compuși înrudiți

06Surse