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(Q82818035)
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English
(4aS,10bR)-7,9-Dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
247.157228912
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(4aS,10bS)-7,9-Dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₁NO₂
0 references
canonical SMILES
COc1cc(OC)c2c(c1)C1CCCNC1CC2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=CC2=C(CC[C@H]3[C@@H]2CCCN3)C(=C1)OC
0 references
Identifiers
InChI
InChI=1S/C15H21NO2/c1-17-10-8-13-11-4-3-7-16-14(11)6-5-12(13)15(9-10)18-2/h8-9,11,14,16H,3-7H2,1-2H3/t11-,14+/m1/s1
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InChIKey
YAJBETWORMKDBP-RISCZKNCSA-N
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CAS Registry Number
87657-10-1
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PubChem CID
71412434
1 reference
matched by identifier from
InChIKey
InChIKey
YAJBETWORMKDBP-RISCZKNCSA-N
UniChem compound ID
67025544
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50831987
1 reference
matched by identifier from
InChIKey
InChIKey
YAJBETWORMKDBP-RISCZKNCSA-N
DSSTOX compound identifier
DTXCID10782729
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