Chemical identity

Verapamil EP Impurity J / N-nor Verapamil (HCl Salt)

CAS 67812-42-4 · C26H37ClN2O4

01Identity

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

Lazychem IDLC-30733
PubChem CID155002
NameVerapamil EP Impurity J / N-nor Verapamil (HCl Salt)
CAS RN67812-42-4
Molecular formulaC26H37ClN2O4
Molecular weight477.04 g/mol
IUPAC name(2RS)-2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-(1-methylethyl)pentanenitrile hydrochloride
InChIKeyOEAFTRIDBHSJDC-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 155002
Two-dimensional chemical structure of Verapamil EP Impurity J / N-nor Verapamil (HCl Salt), CAS 67812-42-4
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 at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
InChINot listed
Formula from structureC26H37ClN2O4
Molecular weight from structure477.04 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Possible 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 Verapamil EP Impurity J / N-nor Verapamil (HCl 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 Verapamil EP Impurity J / N-nor Verapamil (HCl 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
C26H36ClN3O5
Candidate SMILES
COc1ccc(CCN(CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)N=O)cc1OC.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.

05India 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 67812-42-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 67812-42-4 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.

06Names and relationships

Associated parent compound

Verapamil

View API and impurity family

Other names

  • Verapamil EP Impurity J (HCl Salt)
  • Norverapamil Hydrochloride
  • 67812-42-4
  • MX5JX4YHL8
  • RefChem:1092602
  • 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile hydrochloride
  • Norverapamil HCl
  • Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, monohydrochloride
  • (+/-)-Norverapamil (hydrochloride)
  • D591 (hydrochloride)
  • Verapamil EP Impurity J HCl
  • OEAFTRIDBHSJDC-UHFFFAOYSA-N

Related records from the same parent family

07Documented 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.

08Sources