Chemical identity

Primaquine Diphosphate EP Impurity A (2HCl Salt)/ Quinocide Dihydrochloride

CAS 51050-49-8 · C15H23Cl2N3O

01Identity

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

Lazychem IDLC-25991
PubChem CID12302978
NamePrimaquine Diphosphate EP Impurity A (2HCl Salt)/ Quinocide Dihydrochloride
CAS RN51050-49-8
Molecular formulaC15H23Cl2N3O
Molecular weight332.27 g/mol
IUPAC name(4RS)-N1-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine dihydrochloride
InChIKeyUWWYFQYAIHDLFL-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 12302978
Two-dimensional chemical structure of Primaquine Diphosphate EP Impurity A (2HCl Salt)/ Quinocide Dihydrochloride, CAS 51050-49-8
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(N)CCCNC1=C2N=CC=CC2=CC(OC)=C1.[H]Cl.[H]Cl
InChINot listed
Formula from structureC15H23Cl2N3O
Molecular weight from structure332.27 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 Primaquine Diphosphate EP Impurity A (2HCl Salt)/ Quinocide Dihydrochloride 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 Primaquine Diphosphate EP Impurity A (2HCl Salt)/ Quinocide Dihydrochloride, 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
C15H22Cl2N4O2
Candidate SMILES
COc1cc(N(CCCC(C)N)N=O)c2ncccc2c1.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.

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 51050-49-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 51050-49-8 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

Primaquine

View API and impurity family

Other names

  • Primaquine Diphosphate EP Impurity A (2HCl Salt)
  • Quinocide dihydrochloride

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