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(Q76156350)
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English
N,N-dimethyl-3-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]propan-1-amine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
288.22016351599996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₈N₂O
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canonical SMILES
CN(C)CCCN1CCOC2c3ccccc3CCCC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN(C)CCCN1CCO[C@@H]2[C@@H]1CCCC3=CC=CC=C23
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Identifiers
InChI
InChI=1S/C18H28N2O/c1-19(2)11-6-12-20-13-14-21-18-16-9-4-3-7-15(16)8-5-10-17(18)20/h3-4,7,9,17-18H,5-6,8,10-14H2,1-2H3/t17-,18-/m0/s1
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InChIKey
IUPXNHMQUXEGNP-ROUUACIJSA-N
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CAS Registry Number
105124-71-8
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PubChem CID
3064634
1 reference
matched by identifier from
InChIKey
InChIKey
IUPXNHMQUXEGNP-ROUUACIJSA-N
UniChem compound ID
44643460
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40146976
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
IUPXNHMQUXEGNP-ROUUACIJSA-N
DSSTOX compound identifier
DTXCID5069467
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