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(Q82070967)
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English
4-(2-nitroimidazol-1-yl)butane-1,2-diol
chemical compound
2NITROIMIDAZOLE134DIHYDROXYBUTYL
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
201.074955832
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₁N₃O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=[N+]([O-])c1nccn1CCC(O)CO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H11N3O4/c11-5-6(12)1-3-9-4-2-8-7(9)10(13)14/h2,4,6,11-12H,1,3,5H2
0 references
InChIKey
AXLKWXCLDLSLIQ-UHFFFAOYSA-N
0 references
CAS Registry Number
80479-63-6
0 references
PubChem CID
328575
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
47830768
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70316842
0 references
DTXSID00878968
0 references
DSSTOX compound identifier
DTXCID10267965
0 references
DTXCID90959255
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NSC number
307258
0 references
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