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(Q76156317)
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English
(2S,7S)-6-methyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
217.146664228
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₄H₁₉NO
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canonical SMILES
CN1CCOC2c3ccccc3CCCC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1CCO[C@@H]2[C@@H]1CCCC3=CC=CC=C23
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Identifiers
InChI
InChI=1S/C14H19NO/c1-15-9-10-16-14-12-7-3-2-5-11(12)6-4-8-13(14)15/h2-3,5,7,13-14H,4,6,8-10H2,1H3/t13-,14-/m0/s1
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InChIKey
UJKXCTYTPYHMSN-KBPBESRZSA-N
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CAS Registry Number
105124-57-0
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PubChem CID
3064626
1 reference
matched by identifier from
InChIKey
InChIKey
UJKXCTYTPYHMSN-KBPBESRZSA-N
UniChem compound ID
62789895
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80146970
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
UJKXCTYTPYHMSN-KBPBESRZSA-N
DSSTOX compound identifier
DTXCID5069461
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