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(Q82755153)
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English
1-Bromo-3-{[5-bromo-3-(morpholin-4-yl)pyrazin-2-yl]oxy}propan-2-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
394.94801554000003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₅Br₂N₃O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC(CBr)COc1ncc(Br)nc1N1CCOCC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H15Br2N3O3/c12-5-8(17)7-19-11-10(15-9(13)6-14-11)16-1-3-18-4-2-16/h6,8,17H,1-5,7H2
0 references
InChIKey
PGQUWWJEYMHCBG-UHFFFAOYSA-N
0 references
CAS Registry Number
54189-80-9
0 references
PubChem CID
71364818
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PGQUWWJEYMHCBG-UHFFFAOYSA-N
UniChem compound ID
42347720
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50788265
1 reference
matched by identifier from
InChIKey
InChIKey
PGQUWWJEYMHCBG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80739008
0 references
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