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(Q82599117)
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English
4-Chloro-7-[(3xi)-alpha-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine
group of stereoisomers with the chemical formula C₁₁H₁₂ClN₃O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
285.05163354399997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂ClN₃O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OCC1OC(n2ccc3c(Cl)ncnc32)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
OC[C@H]1O[C@H](n2ccc3c(Cl)ncnc32)[C@@H](O)C1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H12ClN3O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2/t6-,7?,8+,11+/m1/s1
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InChIKey
BFDDOTZWMOKUCD-XUPSQLBYSA-N
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CAS Registry Number
120401-32-3
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PubChem CID
46783438
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23090812
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20676206
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DSSTOX compound identifier
DTXCID90626955
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