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(Q82894706)
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English
1-{5-O-[Anilino(2-ethoxy-2-oxoethyl)phosphoryl]-2-deoxypentofuranosyl}-5-(2-chloroethyl)-4-hydroxypyrimidin-2(1H)-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
515.122429134
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₇ClN₃O₈P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)CP(=O)(Nc1ccccc1)OCC1OC(n2cc(CCCl)c(O)nc2=O)CC1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)CP(=O)(Nc1ccccc1)OC[C@H]1O[C@@H](n2cc(CCCl)c(O)nc2=O)C[C@@H]1O
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C21H27ClN3O8P/c1-2-31-19(27)13-34(30,24-15-6-4-3-5-7-15)32-12-17-16(26)10-18(33-17)25-11-14(8-9-22)20(28)23-21(25)29/h3-7,11,16-18,26H,2,8-10,12-13H2,1H3,(H,24,30)(H,23,28,29)/t16-,17+,18+,34?/m0/s1
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InChIKey
BPMAKFMGKAGESO-QJWXHWFKSA-N
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CAS Registry Number
115365-40-7
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PubChem CID
5272131
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66503344
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00921701
0 references
DSSTOX compound identifier
DTXCID801350591
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