Chemical identity

Mirabegron EP Impurity I (HCl Salt )

CAS 25952-53-8 · C8H18ClN3

01Identity

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

Lazychem IDLC-20398
PubChem CID2723939
NameMirabegron EP Impurity I (HCl Salt )
CAS RN25952-53-8
Molecular formulaC8H18ClN3
Molecular weight191.70 g/mol
IUPAC nameN1-((ethylimino)methylene)-N3,N3-dimethylpropane-1,3-diamine hydrochloride
InChIKeyFPQQSJJWHUJYPU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 2723939
Two-dimensional chemical structure of Mirabegron EP Impurity I (HCl Salt ), CAS 25952-53-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count0
Secondary amines0
Tertiary amines1
N-methyl amine sites2
SMILESCN(C)CCCN=C=NCC.[H]Cl
InChINot listed
Formula from structureC8H18ClN3
Molecular weight from structure191.70 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Mirabegron EP Impurity I (HCl Salt ) with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Mirabegron EP Impurity I (HCl Salt ), with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C7H15ClN4O
Candidate SMILES
CCN=C=NCCCN(C)N=O.Cl

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 25952-53-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 25952-53-8 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

  • 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride
  • N-(3-Dimethylaminopropyl)-N’-ethyl carbodiimide hydrochloride
  • 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride
  • N-Ethyl-N’-(3-dimethylaminopropyl)carbodiimide hydrochloride
  • 3-(3-Dimethylaminopropyl)-1-ethylcarbodiimide Hydrochloride

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