Chemical identity

Etoricoxib G

CAS 646459-39-4 · C20H21N3O2S

01Identity

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

Lazychem IDLC-14787
PubChem CID71379374
NameEtoricoxib G
CAS RN646459-39-4
Molecular formulaC20H21N3O2S
Molecular weight367.47 g/mol
IUPAC nameN,N,6'-trimethyl-3-(4-(methylsulfonyl)phenyl)-[2,3'-bipyridin]-5-amine
InChIKeyMVGZGZDEQNNYMW-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 71379374
2D structure: Etoricoxib G, CAS 646459-39-4
Structure of Etoricoxib G (CAS 646459-39-4). LazyChem record. Source identity: PubChem CID 71379374. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H21N3O2S
InChIKeyMVGZGZDEQNNYMW-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres0
SMILESCC1=NC=C(C=C1)C2=C(C=C(C=N2)N(C)C)C3=CC=C(C=C3)S(=O)(=O)C
InChIInChI=1S/C20H21N3O2S/c1-14-5-6-16(12-21-14)20-19(11-17(13-22-20)23(2)3)15-7-9-18(10-8-15)26(4,24)25/h5-13H,1-4H3

03Possible 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 Etoricoxib G, CAS 646459-39-4
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.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 646459-39-4 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 646459-39-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Etoricoxib

View API and impurity family

Other names

  • Etoricoxib Impurity 7
  • Etoricoxib impurity H
  • N,N,6'-Trimethyl-3-(4-(methylsulfonyl)phenyl)-[2,3'-bipyridin]-5-amine
  • N,N-dimethyl-6-(6-methylpyridin-3-yl)-5-(4-methylsulfonylphenyl)pyridin-3-amine
  • Etoricoxib impurity 5
  • N,N,6'-Trimethyl-3-(4-(methylsulfonyl)phenyl)-[2,3'-bipyridin]-5-amine (Etoricoxib Impurity)
  • [2,3'-Bipyridin]-5-amine, N,N,6'-trimethyl-3-[4-(methylsulfonyl)phenyl]-
  • orb3181547

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