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(Q82022729)
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NSC48171
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
579.134753688
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₉Br₂NO₂
0 references
canonical SMILES
CC(C)(C)C1=CC(=C(C(=C1)Br)O)CN(CC2=C(C(=CC(=C2)C(C)(C)C)Br)O)C3CCCCC3
0 references
Identifiers
InChI
InChI=1S/C28H39Br2NO2/c1-27(2,3)20-12-18(25(32)23(29)14-20)16-31(22-10-8-7-9-11-22)17-19-13-21(28(4,5)6)15-24(30)26(19)33/h12-15,22,32-33H,7-11,16-17H2,1-6H3
0 references
InChIKey
NQIXBTDGJGXIGS-UHFFFAOYSA-N
0 references
CAS Registry Number
6640-97-7
0 references
PubChem CID
241069
1 reference
matched by identifier from
InChIKey
InChIKey
NQIXBTDGJGXIGS-UHFFFAOYSA-N
UniChem compound ID
798539
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60286888
1 reference
matched by identifier from
InChIKey
InChIKey
NQIXBTDGJGXIGS-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30238036
0 references
NSC number
48171
0 references
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