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(Q107913598)
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English
1-[2-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methoxy]ethyl]-4-(4-fluorophenyl)piperazine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
444.24243575599996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₃FN₂O₄
1 reference
PubChem CID
12669336
retrieved
12 June 2021
canonical SMILES
COC1=C(C=C2C(OCCCC2=C1)COCCN3CCN(CC3)C4=CC=C(C=C4)F)OC
1 reference
PubChem CID
12669336
retrieved
12 June 2021
melting point
114.25±0.25
degree Celsius
1 reference
stated in
Melting Point and Pyrolysis Point Data for Tens of Thousands of Chemicals
Identifiers
InChI
InChI=1S/C25H33FN2O4/c1-29-23-16-19-4-3-14-32-25(22(19)17-24(23)30-2)18-31-15-13-27-9-11-28(12-10-27)21-7-5-20(26)6-8-21/h5-8,16-17,25H,3-4,9-15,18H2,1-2H3
1 reference
PubChem CID
12669336
retrieved
12 June 2021
InChIKey
XGCVXDUYQSPYGY-UHFFFAOYSA-N
1 reference
PubChem CID
12669336
retrieved
12 June 2021
PubChem CID
12669336
2 references
retrieved
12 June 2021
matched by identifier from
InChIKey
InChIKey
XGCVXDUYQSPYGY-UHFFFAOYSA-N
UniChem compound ID
419819
1 reference
stated in
UniChem
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