Identita

N-Desmethyl Eletriptan

CAS 153525-55-4 · C21H24N2O2S

01Identita

Lazychem IDLC-21175
CAS RN153525-55-4
PubChem CID22873800
Molecular formulaC21H24N2O2S
Molecular weight368.50 g/mol
IUPAC name(R)-5-(2-(Phenylsulfonyl)ethyl)-3-(pyrrolidin-2-ylmethyl)-1H-indole
InChIKeyHHTDENYTSCXDFO-GOSISDBHSA-N

02Štruktúra a stereochémia

2D structurePubChem CID 22873800
Two-dimensional chemical structure of N-Desmethyl Eletriptan, CAS 153525-55-4
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 amines1
Tertiary amines0
SMILESC1C[C@@H](NC1)CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
InChINeuvedené

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.

04Stav v Indii

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

05Názvy a vzťahy

API a materské liečivo

Eletriptan

Nečistoty a súvisiace zlúčeniny

Názvy a vzťahy

  • (R)-5-(2-(Phenylsulfonyl)ethyl)-3-(pyrrolidin-2-ylmethyl)-1H-indole
  • N-Desmethyl eletriptan
  • 153525-55-4
  • 6MOZ326Q5L
  • UK-135,800
  • 1H-Indole, 5-(2-(phenylsulfonyl)ethyl)-3-(2-pyrrolidinylmethyl)-, (R)-
  • DETT cpd
  • RefChem:927124
  • UNII-6MOZ326Q5L
  • 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
  • orb1694375
  • SCHEMBL8886969

Nečistoty a súvisiace zlúčeniny

06Zdroje