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(Q82989719)
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English
3-Hydroxy-4,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
morphinan alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
327.147058152
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₁NO₄
0 references
canonical SMILES
COC1=CC23CCN(C)C(Cc4ccc(O)c(OC)c42)C3=CC1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC
0 references
Identifiers
InChI
InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(23-2)15(22)9-12(19)13(20)8-11-4-5-14(21)18(24-3)17(11)19/h4-5,9-10,13,21H,6-8H2,1-3H3/t13-,19+/m0/s1
0 references
InChIKey
HXXOHXYFRUBUFP-ORAYPTAESA-N
0 references
CAS Registry Number
76202-24-9
0 references
PubChem CID
5488617
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXXOHXYFRUBUFP-ORAYPTAESA-N
UniChem compound ID
10682751
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30997550
1 reference
matched by identifier from
InChIKey
InChIKey
HXXOHXYFRUBUFP-ORAYPTAESA-N
DSSTOX compound identifier
DTXCID001424552
0 references
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