Chemical identity

Nicardipine Bis Analog / Nicardipine EP Impurity B/ Nicardipine Related Compound D (2HCl salt)

CAS 71784-27-5 · C35H42Cl2N4O6

01Identity

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

Lazychem IDLC-23316
PubChem CID159968661
NameNicardipine Bis Analog / Nicardipine EP Impurity B/ Nicardipine Related Compound D (2HCl salt)
CAS RN71784-27-5
Molecular formulaC35H42Cl2N4O6
Molecular weight685.63718 g/mol
IUPAC nameBis{2-[benzyl(methyl)amino]ethyl} 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride
InChIKeyOEGIWKUTCVKMLO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 159968661
Two-dimensional chemical structure of Nicardipine Bis Analog / Nicardipine EP Impurity B/ Nicardipine Related Compound D (2HCl salt), CAS 71784-27-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines1
Tertiary amines2
N-methyl amine sites2
SMILESCC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(C)CC4=CC=CC=C4.Cl.Cl
InChINot listed
Formula from structureC35H42Cl2N4O6
Molecular weight from structure685.63718 g/mol

03Possible N-nitroso structures

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

Matched amine site2 candidates
Chemical structure of Nicardipine Bis Analog / Nicardipine EP Impurity B/ Nicardipine Related Compound D (2HCl 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 Nicardipine Bis Analog / Nicardipine EP Impurity B/ Nicardipine Related Compound D (2HCl 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
C35H41Cl2N5O7
Candidate SMILES
CC1=C(C(=O)OCCN(C)Cc2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N1N=O.Cl.Cl
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C34H39Cl2N5O7
Candidate SMILES
CC1=C(C(=O)OCCN(C)Cc2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN(Cc2ccccc2)N=O)=C(C)N1.Cl.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 71784-27-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 71784-27-5 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

Nicardipine

View API and impurity family

Other names

  • Nicardipine Bis Analog
  • Nicardipine EP Impurity B
  • Bis{2-[benzyl(methyl)amino]ethyl} 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride
  • 71784-27-5
  • RefChem:568674
  • 815-848-4
  • Nicardipine EP Impurity B DiHCl
  • Nicardipine Related Compound D (Bis{2-[benzyl(methyl)amino]ethyl} 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride)
  • 2GC4P543ON
  • NICARDIPINE RELATED COMPOUND D [USP-RS]
  • 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3,5-BIS(2-(METHYL(PHENYLMETHYL)AMINO)ETHYL) ESTER, HYDROCHLORIDE (1:2)
  • 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, BIS(2-(METHYL(PHENYLMETHYL)AMINO)ETHYL) ESTER, DIHYDROCHLORIDE

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