Chemical identity

Mirabegron Impurity B

CAS 1684453-05-1 · C21H22N4O3S

01Identity

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

Lazychem IDLC-20411
PubChem CID117986400
NameMirabegron Impurity B
CAS RN1684453-05-1
Molecular formulaC21H22N4O3S
Molecular weight410.5 g/mol
IUPAC name(R)-N-(4-(2-(2-aminothiazol-4-yl)acetamido)phenethyl)-2-hydroxy-2-phenylacetamide
InChIKeyJJFKDDZCFZVISI-LJQANCHMSA-N

02Structure identifiers

2D structurePubChem CID 117986400
Two-dimensional chemical structure of Mirabegron Impurity B, CAS 1684453-05-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=CC=C(C=C1)[C@H](C(=O)NCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O
InChINot listed
Formula from structureC21H22N4O3S
Molecular weight from structure410.5 g/mol

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.

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 / RCSNO EXACT MATCH FOUNDCAS 1684453-05-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1684453-05-1 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Mirabegron

View API and impurity family

Other names

  • Mirabegron 2-Oxo Impurity/ Mirabegron Amidino Tech Impurity
  • Mirabegron 2-Oxo Impurity
  • Mirabegron Amidino Tech Impurity
  • 2-?Amino-?N-?[4-?[2-?[[(2R)?-?2-?hydroxy-?2-?phenylacetyl]?amino]?ethyl]?phenyl]?-4-?Thiazoleacetamide
  • Mirabegron Impurity 29
  • 1684453-05-1
  • 2-Oxo Mirabegron
  • (R)-N-(4-(2-(2-aminothiazol-4-yl)acetamido)phenethyl)-2-hydroxy-2-phenylacetamide
  • SCHEMBL16609245

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