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5'-O-Benzoylcytidine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
347.111735264
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
cytarabine-5'-benzoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₇N₃O₆
0 references
canonical SMILES
Nc1ccn(C2OC(COC(=O)c3ccccc3)C(O)C2O)c(=O)n1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O
0 references
Identifiers
InChI
InChI=1S/C16H17N3O6/c17-11-6-7-19(16(23)18-11)14-13(21)12(20)10(25-14)8-24-15(22)9-4-2-1-3-5-9/h1-7,10,12-14,20-21H,8H2,(H2,17,18,23)/t10-,12-,13-,14-/m1/s1
0 references
InChIKey
FGSKBSJIDNIGEV-FMKGYKFTSA-N
0 references
CAS Registry Number
62374-29-2
0 references
PubChem CID
18609510
1 reference
matched by identifier from
InChIKey
InChIKey
FGSKBSJIDNIGEV-FMKGYKFTSA-N
SureChEMBL ID
SCHEMBL441997
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FGSKBSJIDNIGEV-FMKGYKFTSA-N
UniChem compound ID
26746069
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80595106
1 reference
matched by identifier from
InChIKey
InChIKey
FGSKBSJIDNIGEV-FMKGYKFTSA-N
DSSTOX compound identifier
DTXCID40545869
0 references
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