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English
2-Bromostrychnidin-10-one
group of stereoisomers with the chemical formula C₂₁H₂₁BrN₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
412.07864001200005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₁BrN₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1CC2OCC=C3CN4CCC56c7cc(Br)ccc7N1C5C2C3CC46
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1C[C@@H]2OCC=C3CN4CCC56c7cc(Br)ccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H21BrN2O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10H2/t13-,16-,17-,19-,20-,21?/m0/s1
0 references
InChIKey
AMNXJMCNKVBMFY-QMVMYWSFSA-N
0 references
CAS Registry Number
58523-41-4
0 references
PubChem CID
3041789
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
63073272
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00974075
0 references
DSSTOX compound identifier
DTXCID801401512
0 references
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