Chemical identity

Depyrazine 7-Nitro-8-aminophenyl N-Trifluoroacetyl Varenicline

CAS 950781-89-2 · C13H12F3N3O3

01Identity

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

Lazychem IDLC-12268
PubChem CID24827024
NameDepyrazine 7-Nitro-8-aminophenyl N-Trifluoroacetyl Varenicline
CAS RN950781-89-2
Molecular formulaC13H12F3N3O3
Molecular weight315.25 g/mol
IUPAC name1-(7-Amino-1,2,4,5-tetrahydro-8-nitro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
InChIKeyOSGVAKUNQZYSSU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 24827024
Two-dimensional chemical structure of Depyrazine 7-Nitro-8-aminophenyl N-Trifluoroacetyl Varenicline, CAS 950781-89-2
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, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C2CN(CC1C3=CC(=C(C=C23)N)[N+](=O)[O-])C(=O)C(F)(F)F
InChINot listed
Formula from structureC13H12F3N3O3
Molecular weight from structure315.25 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

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.

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 950781-89-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 950781-89-2 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

Depyrazine

View associated product family

Other names

  • 950781-89-2
  • Depyrazine 7-Nitro-8-aminophenyl N-Trifluoroacetyl Varenicline
  • 3-(Trifluoroacetyl)-8-nitro-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepin-7-amine
  • SCHEMBL4712395
  • 1-(7-amino-8-nitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
  • Ethanone, 1-(7-amino-1,2,4,5-tetrahydro-8-nitro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-
  • 1-(7-Amino-1,2,4,5-tetrahydro-8-nitro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
  • 8-Nitro-2,3,4,5-tetrahydro-3-(trifluoroacetyl)-1,5-methano

Related records from the same parent family

No related records are linked by parent name.

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