Chemical identity

Nicardipine Pyridine Analaog / Nicardipine Related Compound B / Dehydro Nicardipine

CAS 59875-58-0 · C26H27N3O6

01Identity

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

Lazychem IDLC-23327
PubChem CID3017161
NameNicardipine Pyridine Analaog / Nicardipine Related Compound B / Dehydro Nicardipine
CAS RN59875-58-0
Molecular formulaC26H27N3O6
Molecular weight477.15 g/mol
IUPAC name2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
InChIKeyGROZWIBBDLLXKU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 3017161
Two-dimensional chemical structure of Nicardipine Pyridine Analaog / Nicardipine Related Compound B / Dehydro Nicardipine, CAS 59875-58-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 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 count3
Secondary amines0
Tertiary amines1
N-methyl amine sites1
SMILESCC1=C(C(=C(C(=N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChINot listed
Formula from structureC26H27N3O6
Molecular weight from structure477.15 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 Nicardipine Pyridine Analaog / Nicardipine Related Compound B / Dehydro Nicardipine 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 Nicardipine Pyridine Analaog / Nicardipine Related Compound B / Dehydro Nicardipine, 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
C25H24N4O7
Candidate SMILES
COC(=O)c1c(C)nc(C)c(C(=O)OCCN(Cc2ccccc2)N=O)c1-c1cccc([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 59875-58-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 59875-58-0 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

Nicardipine

View API and impurity family

Other names

  • Nicardipine Related Compound B
  • Nicardipine Pyridine Analaog
  • 2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
  • Npm-II
  • M-5 Nicardipine pyridine metabolite
  • RefChem:254417
  • 59875-58-0
  • Nicardipine pyridine metabolite II
  • Dehydro Nicardipine
  • 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-(methyl(phenylmethyl)amino)ethyl ester
  • 3-O-[2-[benzyl(methyl)amino]ethyl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
  • Nicardipine EP Impurity A (Dehydro Nicardipine)

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