Chemical identity

3-nitroso-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine-7,8-diamine

CAS 2803960-64-5 · C11H14N4O

01Identity

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

Lazychem IDLC-30618
PubChem CID176489749
Name3-nitroso-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine-7,8-diamine
CAS RN2803960-64-5
Molecular formulaC11H14N4O
Molecular weight218.3 g/mol
IUPAC name3-Nitroso-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine-7,8-diamine
InChIKeyNRTSXXQFKINUFV-KNVOCYPGSA-N

02Structure identifiers

2D structurePubChem CID 176489749
Two-dimensional chemical structure of 3-nitroso-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine-7,8-diamine, CAS 2803960-64-5
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, has 2 defined stereocentres, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC1[C@@H]2CN(C[C@H]1C3=CC(=C(C=C23)N)N)N=O
InChINot listed
Formula from structureC11H14N4O
Molecular weight from structure218.3 g/mol

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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 2803960-64-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2803960-64-5 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 15/ 3-nitroso-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine-7,8-diamine / VRN-6-1600
  • Varenicline Impurity 15
  • 3-nitroso-2, 3, 4, 5-tetrahydro-1H-1, 5-methanobenzo[d]azepine-7, 8-diamine
  • 2,3,4,5-Tetrahydro-3-nitroso-1,5-methano-1H-3-benzazepine-7,8-diamine
  • HPX67HMA92
  • 2803960-64-5
  • 1,5-Methano-1H-3-benzazepine-7,8-diamine, 2,3,4,5-tetrahydro-3-nitroso-
  • (1R,5S)-3-Nitroso-2,3,4,5-tetrahydro-1h-1,5-methanobenzo(d)azepine-7,8-diamine

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