Chemical identity

Chloroquine Related Compound G (Free Form)

CAS 68121-48-2 · C18H26ClN3O

01Identity

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

Lazychem IDLC-10478
PubChem CID85963517
NameChloroquine Related Compound G (Free Form)
CAS RN68121-48-2
Molecular formulaC18H26ClN3O
Molecular weight335.88 g/mol
IUPAC name4-((7-chloroquinolin-4-yl)amino)-N,N-diethylpentan-1-amine oxide
InChIKeyHPVLZIVCPLRCAH-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 85963517
2D structure: Chloroquine Related Compound G (Free Form), CAS 68121-48-2
Structure of Chloroquine Related Compound G (Free Form) (CAS 68121-48-2). LazyChem record. Source identity: PubChem CID 85963517. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H26ClN3O
InChIKeyHPVLZIVCPLRCAH-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESCC[N+](CC)(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)[O-]
InChIInChI=1S/C18H26ClN3O/c1-4-22(23,5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
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

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Chloroquine Related Compound G (Free Form), CAS 68121-48-2
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 68121-48-2 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 68121-48-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Chloroquine

View API and impurity family

Other names

  • Chloroquine N-oxide
  • UNII-RT3324Q70T
  • 4-((7-Chloroquinolin-4-yl)amino)-N,N-diethylpentan-1-amine oxide
  • 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, N1-oxide
  • Chloroquine USP Related Compound G
  • Chloroquine impurity 11

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