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(Q72441489)
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English
Benzyl (S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate
chemical compound
(S)-3-Benzyloxycarbonyl-4-methyl-2,5-oxazolidinedione
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₁₂H₁₁NO₅
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canonical SMILES
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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InChIKey
WHQCHUCQKNIQEC-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
125814-23-5
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PubChem CID
2333
1 reference
matched by identifier from
InChIKey
InChIKey
WHQCHUCQKNIQEC-UHFFFAOYSA-N
ChEBI ID
3023
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
SureChEMBL ID
SCHEMBL48993
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WHQCHUCQKNIQEC-UHFFFAOYSA-N
DSSTox substance ID
DTXSID4022652
1 reference
matched by identifier from
InChIKey
InChIKey
WHQCHUCQKNIQEC-UHFFFAOYSA-N
DrugBank ID
DB12319
1 reference
matched by identifier from
InChIKey
InChIKey
WHQCHUCQKNIQEC-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0041834
1 reference
matched by identifier from
InChIKey
InChIKey
WHQCHUCQKNIQEC-UHFFFAOYSA-N
UNII
4POG0RL69O
1 reference
matched by identifier from
InChIKey
InChIKey
WHQCHUCQKNIQEC-UHFFFAOYSA-N
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