Chemical identity

Articaine EP Impurity A / Articaine Related Compound A / Acetamido Articaine

CAS 1712677-79-6 · C12H18N2O3S

01Identity

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

Lazychem IDLC-06815
PubChem CID76964863
NameArticaine EP Impurity A / Articaine Related Compound A / Acetamido Articaine
CAS RN1712677-79-6
Molecular formulaC12H18N2O3S
Molecular weight270.35 g/mol
IUPAC nameMethyl 4-methyl-3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
InChIKeyDSGKAUAFDAOGME-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 76964863
Two-dimensional chemical structure of Articaine EP Impurity A / Articaine Related Compound A / Acetamido Articaine, CAS 1712677-79-6
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
SMILESCCCNCC(=O)NC1=C(SC=C1C)C(=O)OC
InChINot listed
Formula from structureC12H18N2O3S
Molecular weight from structure270.35 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 Articaine EP Impurity A / Articaine Related Compound A / Acetamido Articaine 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 Articaine EP Impurity A / Articaine Related Compound A / Acetamido Articaine, 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
C12H17N3O4S
Candidate SMILES
CCCN(CC(=O)Nc1c(C)csc1C(=O)OC)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 1712677-79-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1712677-79-6 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

Articaine

View API and impurity family

Other names

  • Articaine EP Impurity A
  • Articaine Related Compound A / Acetamido Articaine
  • Acetamidoarticaine
  • 1712677-79-6
  • Methyl 4-Methyl-3-[2-(propylamino)acetamido)thiophene-2-carboxylate
  • Articaine impurity A CRS
  • 58I4L8M39Q
  • MTC67779
  • Q27261599
  • ARTICAINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
  • METHYL 3-((2-(PROPYLAMINO)ACETYL)AMINO)-4-METHYLTHIOPHENE-2-CARBOXYLATE

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