Chemical identity

N-Desmethyl Eletriptan

CAS 153525-55-4 · C21H24N2O2S

01Identity

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

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

02Structure identifiers

2D structurePubChem CID 22873800
2D structure: N-Desmethyl Eletriptan, CAS 153525-55-4
Structure of N-Desmethyl Eletriptan (CAS 153525-55-4). LazyChem record. Source identity: PubChem CID 22873800. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H24N2O2S
InChIKeyHHTDENYTSCXDFO-GOSISDBHSA-N
Ring count4
Defined stereocentres1
Unassigned stereocentres0
SMILESC1C[C@@H](NC1)CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
InChIInChI=1S/C21H24N2O2S/c24-26(25,19-6-2-1-3-7-19)12-10-16-8-9-21-20(13-16)17(15-23-21)14-18-5-4-11-22-18/h1-3,6-9,13,15,18,22-23H,4-5,10-12,14H2/t18-/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

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.

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 N-Desmethyl Eletriptan, CAS 153525-55-4
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 153525-55-4 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 153525-55-4 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

  • N-Desmethyl eletriptan
  • UK-135,800
  • 1H-Indole, 5-(2-(phenylsulfonyl)ethyl)-3-(2-pyrrolidinylmethyl)-, (R)-
  • DETT cpd
  • UNII-6MOZ326Q5L
  • 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
  • orb1694375

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