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(Q82028736)
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English
N-acetyl-6-chloro-9-[2-deoxy-3,5-bis-o-(4-methylbenzoyl)pentofuranosyl]-9H-purin-2-amine
chemical compound
6-chloro-9-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-2-[(1-hydroxyethylidene)amino]-9H-purine
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
563.1571612319999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₂₆ClN₅O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)Nc1nc(Cl)c2ncn(C3CC(OC(=O)c4ccc(C)cc4)C(COC(=O)c4ccc(C)cc4)O3)c2n1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H26ClN5O6/c1-15-4-8-18(9-5-15)26(36)38-13-21-20(40-27(37)19-10-6-16(2)7-11-19)12-22(39-21)34-14-30-23-24(29)32-28(31-17(3)35)33-25(23)34/h4-11,14,20-22H,12-13H2,1-3H3,(H,31,32,33,35)
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InChIKey
WNWYBNIRSXIWBH-UHFFFAOYSA-N
0 references
CAS Registry Number
35129-57-8
reason for deprecated rank
applies to other chemical entity
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7356-40-3
reason for deprecated rank
applies to other chemical entity
0 references
PubChem CID
251459
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58731031
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60290925
0 references
DTXSID70994341
reason for deprecated rank
does not exactly match
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DSSTOX compound identifier
DTXCID70242071
0 references
DTXCID20951409
reason for deprecated rank
does not exactly match
0 references
NSC number
100043
0 references
71852
0 references
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