Chemical identity

Mirabegron Diamide 1

CAS 1684452-83-2 · C26H28N6O3S2

01Identity

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

Lazychem IDLC-20393
PubChem CID123171963
NameMirabegron Diamide 1
CAS RN1684452-83-2
Molecular formulaC26H28N6O3S2
Molecular weight536.67 g/mol
IUPAC name(R)-2-(2-Aminothiazol-4-yl)-N-(4-(2-(2-aminothiazol-4-yl)acetamido)phenethyl)-N-(2-hydroxy-2-phenylethyl)acetamide
InChIKeyJASFVOWZGHSXRG-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 123171963
Two-dimensional chemical structure of Mirabegron Diamide 1, CAS 1684452-83-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=CC=C(C=C1)C(CN(CCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)C(=O)CC4=CSC(=N4)N)O
InChINot listed
Formula from structureC26H28N6O3S2
Molecular weight from structure536.67 g/mol

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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 / RCSNO EXACT MATCH FOUNDCAS 1684452-83-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1684452-83-2 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 Diamide 1/ Mirabegron Impurity 4
  • Mirabegron Diamide 1
  • Mirabegron Impurity 4
  • (R)-2-(2-Aminothiazol-4-yl)-N-(4-(2-(2-aminothiazol-4-yl)acetamido)phenethyl)-N-(2-hydroxy-2-phenylethyl)acetamide

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