Chemical identity

Silodosin KSM S-Isomer

CAS 2052288-68-1 · C26H31N3O8

01Identity

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

Lazychem IDLC-119517
PubChem CID169433422
NameSilodosin KSM S-Isomer
CAS RN2052288-68-1
Molecular formulaC26H31N3O8
Molecular weight513.5 g/mol
IUPAC name3-[5-[(2S)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2R,3R)-2,3-dihydroxybutanedioic acid
InChIKeyKYUCVOVGODORNE-RAUFAAFNSA-N

02Structure identifiers

2D structurePubChem CID 169433422
2D structure: Silodosin KSM S-Isomer, CAS 2052288-68-1
Structure of Silodosin KSM S-Isomer (CAS 2052288-68-1). LazyChem record. Source identity: PubChem CID 169433422. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC26H31N3O8
InChIKeyKYUCVOVGODORNE-RAUFAAFNSA-N
Ring count3
Defined stereocentres3
Unassigned stereocentres0
SMILESC[C@@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOC(=O)C3=CC=CC=C3)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChIInChI=1S/C22H25N3O2.C4H6O6/c1-16(24)12-17-13-19-8-10-25(21(19)20(14-17)15-23)9-5-11-27-22(26)18-6-3-2-4-7-18;5-1(3(7)8)2(6)4(9)10/h2-4,6-7,13-14,16H,5,8-12,24H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m01/s1

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

04India 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 2052288-68-1 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 2052288-68-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Silodosin

View API and impurity family

Other names

  • 3-[5-[(2S)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate
  • (2R,3R)-2,3-dihydroxybutanedioic acid

Related records from the same parent family

06Documented 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.

07Sources