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(Q76003372)
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English
3-[(2S)-1-nitroso-3,6-dihydro-2H-pyridin-2-yl]pyridine
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
anabasine-like alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
189.090211972
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₁N₃O
0 references
canonical SMILES
O=NN1CC=CCC1C=2C=NC=CC2
0 references
isomeric SMILES
C1C=CCN([C@@H]1C2=CN=CC=C2)N=O
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
Toxicological evaluation of aerosols of a tobacco extract formulation and nicotine formulation in acute and short-term inhalation studies.
Identifiers
InChI
InChI=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/t10-/m0/s1
0 references
InChIKey
ZJOFAFWTOKDIFH-JTQLQIEISA-N
0 references
CAS Registry Number
71267-22-6
1 reference
InChIKey
ZJOFAFWTOKDIFH-JTQLQIEISA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=71267-22-6
PubChem CID
51291
1 reference
matched by identifier from
InChIKey
InChIKey
ZJOFAFWTOKDIFH-JTQLQIEISA-N
UniChem compound ID
18057854
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70221442
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
ZJOFAFWTOKDIFH-JTQLQIEISA-N
DSSTOX compound identifier
DTXCID70143933
0 references
KNApSAcK ID
C00062755
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZJOFAFWTOKDIFH-JTQLQIEISA-N
UNII
7V3JJ391AU
1 reference
matched by identifier from
InChIKey
InChIKey
ZJOFAFWTOKDIFH-JTQLQIEISA-N
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