Chemical identity

(S)-N-Nitroso Anatabine-D4

CAS 1426174-82-4 · C102H4H7N3O

01Identity

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

Lazychem IDLC-00881
PubChem CID129318152
Name(S)-N-Nitroso Anatabine-D4
CAS RN1426174-82-4
Molecular formulaC102H4H7N3O
Molecular weight193.24 g/mol
IUPAC name(S)-1,2,3,6-Tetrahydro-1-nitroso-2,3'-bipyridine-2',4',5',6'-d4
InChIKeyZJOFAFWTOKDIFH-IOADRVQPSA-N

02Structure identifiers

2D structurePubChem CID 129318152
Two-dimensional chemical structure of (S)-N-Nitroso Anatabine-D4, CAS 1426174-82-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILES[2H]C1=C(C(=C(N=C1[2H])[2H])[C@@H]2CC=CCN2N=O)[2H]
InChINot listed
Formula from structureC10H11N3O
Molecular weight from structure193.24 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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.

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 1426174-82-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1426174-82-4 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

Anatabine

View API and impurity family

Other names

  • (S)-N-Nitroso Anatabine-2, 4, 5, 6-d4

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