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(Q82904460)
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English
N-{3-[4-(2-Aminoethyl)-2-bromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
group of stereoisomers with the chemical formula C₂₁H₂₄Br₃N₃O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
634.926607168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄Br₃N₃O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCOc1ccc(CCN)cc1Br)=NO2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=C(Br)[C@H](O)C2(C=C1Br)CC(C(=O)NCCCOc1ccc(CCN)cc1Br)=NO2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H24Br3N3O5/c1-30-18-14(23)10-21(19(28)17(18)24)11-15(27-32-21)20(29)26-7-2-8-31-16-4-3-12(5-6-25)9-13(16)22/h3-4,9-10,19,28H,2,5-8,11,25H2,1H3,(H,26,29)/t19-,21?/m0/s1
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InChIKey
NMQGCYQSHLBLKC-ZQRQZVKFSA-N
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CAS Registry Number
136685-29-5
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PubChem CID
131984
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58779589
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10929511
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DSSTOX compound identifier
DTXCID001358258
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