Chemical identity

Silodosin depropanol Impurity ( free base)

CAS 2052161-47-2 · C22H26F3N3O3

01Identity

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

Lazychem IDLC-28078
PubChem CID123650848
NameSilodosin depropanol Impurity ( free base)
CAS RN2052161-47-2
Molecular formulaC22H26F3N3O3
Molecular weight437.46 g/mol
IUPAC name5-((R)-2-(2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethylamino)propyl)indoline-7-carboxamide
InChIKeyYEMPGANJNSGFHQ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 123650848
2D structure: Silodosin depropanol Impurity ( free base), CAS 2052161-47-2
Structure of Silodosin depropanol Impurity ( free base) (CAS 2052161-47-2). LazyChem record. Source identity: PubChem CID 123650848. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H26F3N3O3
InChIKeyYEMPGANJNSGFHQ-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres1
SMILESCC(CC1=CC2=C(C(=C1)C(=O)N)NCC2)NCCOC3=CC=CC=C3OCC(F)(F)F
InChIInChI=1S/C22H26F3N3O3/c1-14(10-15-11-16-6-7-28-20(16)17(12-15)21(26)29)27-8-9-30-18-4-2-3-5-19(18)31-13-22(23,24)25/h2-5,11-12,14,27-28H,6-10,13H2,1H3,(H2,26,29)

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact 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 Silodosin depropanol Impurity ( free base), CAS 2052161-47-2
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 2052161-47-2 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 2052161-47-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Silodosin

View API and impurity family

Other names

  • Deshydroxypropyl Silodosin (Mixture of Isomers)
  • Silodosin Depropanol Impurity1
  • 5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indoline-7-carboxamide

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