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(Q82824100)
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English
1-[(1S)-1-Phenylethyl]-2,3,5,6,7,7a-hexahydro-1H-indole
group of stereoisomers with the chemical formula C₁₆H₂₁N
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
227.167399672
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₁N
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(c1ccccc1)N1CCC2=CCCCC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](c1ccccc1)N1CCC2=CCCCC21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H21N/c1-13(14-7-3-2-4-8-14)17-12-11-15-9-5-6-10-16(15)17/h2-4,7-9,13,16H,5-6,10-12H2,1H3/t13-,16?/m0/s1
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InChIKey
DDSVKGFQOKCULJ-KNVGNIICSA-N
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CAS Registry Number
828252-60-4
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PubChem CID
71417083
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
59914759
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30836430
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DSSTOX compound identifier
DTXCID50787172
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