Chemical identity

Salbutamol EP Impurity J /Salbutamol ketone impurity / Salbutamol BP Impurity J / Salbutamone/ Albuterol Related Compound B (Free Base)

CAS 156547-62-5 · C13H19NO3

01Identity

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

Lazychem IDLC-27731
PubChem CID11601134
NameSalbutamol EP Impurity J /Salbutamol ketone impurity / Salbutamol BP Impurity J / Salbutamone/ Albuterol Related Compound B (Free Base)
CAS RN156547-62-5
Molecular formulaC13H19NO3
Molecular weight237.29 g/mol
IUPAC name2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone
InChIKeyWHJAFZHZZCVHJI-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 11601134
Two-dimensional chemical structure of Salbutamol EP Impurity J /Salbutamol ketone impurity / Salbutamol BP Impurity J / Salbutamone/ Albuterol Related Compound B (Free Base), CAS 156547-62-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESOCC1=CC(C(CNC(C)(C)C)=O)=CC=C1O
InChINot listed
Formula from structureC13H19NO3
Molecular weight from structure237.29 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 Salbutamol EP Impurity J /Salbutamol ketone impurity / Salbutamol BP Impurity J / Salbutamone/ Albuterol Related Compound B (Free Base) 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 Salbutamol EP Impurity J /Salbutamol ketone impurity / Salbutamol BP Impurity J / Salbutamone/ Albuterol Related Compound B (Free Base), 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
C13H18N2O4
Candidate SMILES
CC(C)(C)N(CC(=O)c1ccc(O)c(CO)c1)N=O

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 156547-62-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 156547-62-5 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

Salbutamol

View API and impurity family

Other names

  • Salbutamol EP Impurity J (Free Base)
  • Salbutamone
  • Salbutamol ketone impurity
  • Albuterone
  • 2-((1,1-Dimethylethyl)amino)-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethanone
  • 2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethan-1-one
  • Salbutamol BP Impurity J / Albuterol Related Compound B

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