Chemical identity

Cilnidipine Impurity A

CAS 70172-96-2 · C21H26N2O8

01Identity

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

Lazychem IDLC-10654
PubChem CID2787405
NameCilnidipine Impurity A
CAS RN70172-96-2
Molecular formulaC21H26N2O8
Molecular weight434.44 g/mol
IUPAC name[bis(2-methoxyethyl)2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5- dicarboxylate
InChIKeyDKUDHLFHAFDRKU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 2787405
Two-dimensional chemical structure of Cilnidipine Impurity A, CAS 70172-96-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC
InChINot listed
Formula from structureC21H26N2O8
Molecular weight from structure434.44 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 Cilnidipine Impurity A 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 Cilnidipine Impurity A, 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
C21H25N3O9
Candidate SMILES
COCCOC(=O)C1=C(C)N(N=O)C(C)=C(C(=O)OCCOC)C1c1cccc([N+](=O)[O-])c1

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 70172-96-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 70172-96-2 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

Cilnidipine; Nimodipine

View API and impurity family

Other names

  • Nimodipine EP Impurity C / Nimodipine Related Compound C / Nimodipine BP Impurity C / Cilnidipine Impurity A
  • Nimodipine EP Impurity C
  • Nimodipine Related Compound C / Nimodipine BP Impurity C / Cilnidipine Impurity A
  • Bis(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • 70172-96-2
  • O-Desisopropyl-O-methoxyethyl Nimodipine
  • NIMODIPINE RELATED COMPOUND B (50 MG) (BIS(2-METHOXYETHYL) 2,6-DIMETHYL-4-(3-NITROPHE-NYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE) (AS)
  • 3,5-BIS(2-METHOXYETHYL) 2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
  • Nimodipine Related Compound B
  • Nimodipine Imp. C (EP)
  • Nimodipine USP Related Compound B
  • Nimodipine USP RC 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