Chemical identity

(S)-N-Nitroso Anabasine

CAS 1133-64-8 · C10H13N3O

01Identity

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

Lazychem IDLC-00879
PubChem CID7069270
Name(S)-N-Nitroso Anabasine
CAS RN1133-64-8
Molecular formulaC10H13N3O
Molecular weight191.23 g/mol
IUPAC name3-[(2S)-1-Nitroso-2-piperidinyl]pyridine
InChIKeyBXYPVKMROLGXJI-JTQLQIEISA-N

02Structure identifiers

2D structurePubChem CID 7069270
2D structure: (S)-N-Nitroso Anabasine, CAS 1133-64-8
Structure of (S)-N-Nitroso Anabasine (CAS 1133-64-8). LazyChem record. Source identity: PubChem CID 7069270. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC10H13N3O
InChIKeyBXYPVKMROLGXJI-JTQLQIEISA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres0
SMILESC1CCN([C@@H](C1)C2=CN=CC=C2)N=O
InChIInChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1133-64-8 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 1133-64-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Nicotine

View API and impurity family

Other names

  • N-Nitrosoanabasine
  • 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
  • 1-Nitrosoanabasine
  • (R,s)-n-nitrosoanabasine
  • Anabasine, 1-nitroso-
  • (S)-3-(1-Nitroso-2-piperidinyl)pyridine
  • (S)-3-(1-Nitrosopiperidin-2-yl)pyridine
  • Pyridine, 3-(1-nitroso-2-piperidinyl)-, (S)-
  • (S)-N-Nitroso Anabasine (1.0 mg/ml in Acetonitrile)

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