Chemical identity

Eletriptan Impurity B / Eletriptan Related Compound B

CAS 143322-57-0 · C14H17BrN2

01Identity

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

Lazychem IDLC-13867
PubChem CID11185464
NameEletriptan Impurity B / Eletriptan Related Compound B
CAS RN143322-57-0
Molecular formulaC14H17BrN2
Molecular weight293.2 g/mol
IUPAC name(R)-5-Bromo-3-((1-methylpyrrolidin-2-yl) methyl)-1H-indole
InChIKeyJCXOJXALBTZEFE-GFCCVEGCSA-N

02Structure identifiers

2D structurePubChem CID 11185464
2D structure: Eletriptan Impurity B / Eletriptan Related Compound B, CAS 143322-57-0
Structure of Eletriptan Impurity B / Eletriptan Related Compound B (CAS 143322-57-0). LazyChem record. Source identity: PubChem CID 11185464. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC14H17BrN2
InChIKeyJCXOJXALBTZEFE-GFCCVEGCSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESCN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)Br
InChIInChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3/t12-/m1/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Eletriptan Impurity B / Eletriptan Related Compound B, CAS 143322-57-0
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 143322-57-0 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 143322-57-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Eletriptan

View API and impurity family

Other names

  • (R)-5-Bromo-3-(1-methyl-2-pyrrolidinyl methyl)-1H-indole
  • 5-bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-Indole
  • (R)-5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole
  • 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
  • (R)-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
  • 5-Bromo-3-[1-methylpyrrolidin-2(R)-ylmethyl]-1H-indole
  • 1H-Indole, 5-bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-

Related records from the same parent family

07Documented 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.

08Sources