Chemical identity

(R,S)-N-Nitroso Anatabine-2,4,5,6-D4

CAS 1020719-69-0 · C10H7D4N3O

01Identity

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

Lazychem IDLC-00546
PubChem CID45040112
Name(R,S)-N-Nitroso Anatabine-2,4,5,6-D4
CAS RN1020719-69-0
Molecular formulaC10H7D4N3O
Molecular weight193.24 g/mol
IUPAC name2,3,4,6-tetradeuterio-5-(1-nitroso-3,6-dihydro-2H-pyridin-2-yl)pyridine
InChIKeyZJOFAFWTOKDIFH-AJEVBKBKSA-N

02Structure identifiers

2D structurePubChem CID 45040112
2D structure: (R,S)-N-Nitroso Anatabine-2,4,5,6-D4, CAS 1020719-69-0
Structure of (R,S)-N-Nitroso Anatabine-2,4,5,6-D4 (CAS 1020719-69-0). LazyChem record. Source identity: PubChem CID 45040112. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC10H7D4N3O
InChIKeyZJOFAFWTOKDIFH-AJEVBKBKSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESO=NN1CC=CCC1C2=C([2H])N=C([2H])C([2H])=C2[2H]
InChIInChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/i3D,4D,6D,8D

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1020719-69-0 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 1020719-69-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

N-Nitroso/ Anatabine

View associated product family

Other names

  • N-Nitrosoanatabine-d4
  • 2,3'-Bipyridine-2',4',5',6'-d4, 1,2,3,6-tetrahydro-1-nitroso-

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