Chemical identity

N-Desethyl Amodiaquine

CAS 79352-78-6 · C18H18ClN3O

01Identity

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

Lazychem IDLC-21130
PubChem CID122068
NameN-Desethyl Amodiaquine
CAS RN79352-78-6
Molecular formulaC18H18ClN3O
Molecular weight327.81 g/mol
IUPAC name4-[(7-Chloro-4-quinolinyl)amino]-2-[(ethylamino)methyl]phenol
InChIKeyVRXFDHAGFYWGHT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 122068
Two-dimensional chemical structure of N-Desethyl Amodiaquine, CAS 79352-78-6
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 at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count3
Secondary amines2
Tertiary amines0
N-methyl amine sites0
SMILESCCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
InChINot listed
Formula from structureC18H18ClN3O
Molecular weight from structure327.81 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 N-Desethyl Amodiaquine 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 N-Desethyl Amodiaquine, 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
C18H17ClN4O2
Candidate SMILES
CCN(Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O)N=O
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C18H17ClN4O2
Candidate SMILES
CCNCc1cc(N(N=O)c2ccnc3cc(Cl)ccc23)ccc1O

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 79352-78-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 79352-78-6 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

Amodiaquine Dihydrochloride Dihydrate

View API and impurity family

Other names

  • Desethylamodiaquine
  • Monodesethylamodiaquine
  • 2-(Aminomethyl)-4-[(7-Chloro-4-Quinolinyl)amino]Phenol
  • 79352-78-6
  • N-desethylamodiaquine
  • BY36SG7NP9
  • DTXSID20229630
  • 4-((7-Chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)phenol
  • Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)-
  • RefChem:585792
  • DTXCID70152121
  • 4-((7-Chloroquinolin-4-yl)amino)-2-((ethylamino)methyl)phenol

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