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(Q82995890)
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English
7-Ethyl-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine
group of stereoisomers with the chemical formula C₁₅H₁₈N₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
242.141913196
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCN1CCOC2c3cccc4[nH]cc(c34)CC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCN1CCOC2c3cccc4[nH]cc(c34)C[C@H]21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15?/m1/s1
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InChIKey
ILMWHLYQRWFIJV-AFYYWNPRSA-N
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CAS Registry Number
81244-91-9
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PubChem CID
133635
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51228554
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701001868
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DSSTOX compound identifier
DTXCID001428809
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