Chemical identity

Silodosin S-Isomer

CAS 2182279-45-2 · C25H32F3N3O4

01Identity

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

Lazychem IDLC-28086
PubChem CID656628
NameSilodosin S-Isomer
CAS RN2182279-45-2
Molecular formulaC25H32F3N3O4
Molecular weight495.53 g/mol
IUPAC name1-(3-Hydroxypropyl)-5-[(2S)-({2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy] ethyl} amino)propyl]indoline-7-carboxamide
InChIKeyPNCPYILNMDWPEY-KRWDZBQOSA-N

02Structure identifiers

2D structurePubChem CID 656628
2D structure: Silodosin S-Isomer, CAS 2182279-45-2
Structure of Silodosin S-Isomer (CAS 2182279-45-2). LazyChem record. Source identity: PubChem CID 656628. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC25H32F3N3O4
InChIKeyPNCPYILNMDWPEY-KRWDZBQOSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F
InChIInChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m0/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

3 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 Silodosin S-Isomer, CAS 2182279-45-2
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 2182279-45-2 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 2182279-45-2 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

  • (S)-Silodosin
  • Silodosin Impurity 2
  • PNCPYILNMDWPEY-KRWDZBQOSA-N
  • NCGC00346558-01
  • (S)-1-(3-Hydroxypropyl)-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indoline-7-carboxamide
  • 1-(3-hydroxypropyl)-5-[(2S)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-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