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(Q82951335)
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English
11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo[a]azulen-3-ol--hydrogen bromide (1/1)
group of stereoisomers with the chemical formula C₁₅H₂₀BrNO
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
309.07282636
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀BrNO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Br.CN1C2CCC1C1Cc3ccc(O)cc3C1C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Br.CN1C2CCC1[C@H]1Cc3ccc(O)cc3[C@H]1C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H19NO.BrH/c1-16-10-3-5-15(16)14-6-9-2-4-11(17)8-12(9)13(14)7-10;/h2,4,8,10,13-15,17H,3,5-7H2,1H3;1H/t10?,13-,14+,15?;/m1./s1
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InChIKey
AYCUPWXMHHYNSC-HQYIRDQCSA-N
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CAS Registry Number
53758-00-2
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DSSTox substance ID
DTXSID30968523
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DSSTOX compound identifier
DTXCID101396097
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