Identiteta

Eletriptan Related Compound 03

CAS 209682-64-4 · C16H22N2

01Identiteta

Lazychem IDLC-13873
CAS RN209682-64-4
PubChem CID10131024
Molecular formulaC16H22N2
Molecular weight242.36
IUPAC name1H-indole,5-ethyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]
InChIKeyXQBUOODGXPTQOQ-CQSZACIVSA-N

02Struktura in stereokemija

2D structurePubChem CID 10131024
Two-dimensional chemical structure of Eletriptan Related Compound 03, CAS 209682-64-4
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. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines1
SMILESCCC1=CC2=C(C=C1)NC=C2C[C@H]3CCCN3C
InChINi navedeno

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

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.

04Status v Indiji

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

05Imena in povezave

API in matično zdravilo

Eletriptan

Nečistote in sorodne spojine

Imena in povezave

  • 5-Ethyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole
  • 209682-64-4
  • Eletriptan Impurity
  • 5-ethyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
  • Eletriptan impurity F
  • 68TX8Z5QGM
  • CHEMBL45929
  • (R)-5-Ethyl-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole
  • 1H-Indole, 5-ethyl-3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-
  • UNII-68TX8Z5QGM
  • SCHEMBL8507160
  • BDBM50090522

Nečistote in sorodne spojine

06Viri