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Hydroxycotinine
group of stereoisomers with the chemical formula C₁₀H₁₂N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
192.089877624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₂N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1C(=O)C(O)CC1c1cccnc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C(=O)C(O)C[C@H]1c1cccnc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1
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InChIKey
XOKCJXZZNAUIQN-IENPIDJESA-N
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CAS Registry Number
205246-48-6
0 references
PubChem CID
10219774
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XOKCJXZZNAUIQN-IENPIDJESA-N
ChEBI ID
189719
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1
UniChem compound ID
31995216
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60436881
1 reference
matched by identifier from
InChIKey
InChIKey
XOKCJXZZNAUIQN-IENPIDJESA-N
DSSTOX compound identifier
DTXCID80387705
0 references
Human Metabolome Database ID
HMDB0001390
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XOKCJXZZNAUIQN-IENPIDJESA-N
Probes And Drugs ID
PD018048
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