Chemical identity

N-Nitroso Varenicline

CAS 2755871-02-2 · C13H12N4O

01Identity

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

Lazychem IDLC-22500
PubChem CID163880833
NameN-Nitroso Varenicline
CAS RN2755871-02-2
Molecular formulaC13H12N4O
Molecular weight240.26 g/mol
IUPAC name8-nitroso-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline
InChIKeyPTBAEGOZXFWTJH-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 163880833
Two-dimensional chemical structure of N-Nitroso Varenicline, CAS 2755871-02-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count4
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESO=NN1CC(C2)C3=C(C2C1)C=C4N=CC=NC4=C3
InChINot listed
Formula from structureC13H12N4O
Molecular weight from structure240.26 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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.

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 2755871-02-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2755871-02-2 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

Varenicline

View API and impurity family

Other names

  • Varenicline Impurity 9
  • Varenicline Nitrosamine VRN-5000 Impurity

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