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(Q82274341)
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English
Adenosine, 8-[(4-chlorophenyl)thio]-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
409.06115267199993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₁₆ClN₅O₄S
0 references
canonical SMILES
Nc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2C1OC(CO)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC=C1SC2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl
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Identifiers
InChI
InChI=1S/C16H16ClN5O4S/c17-7-1-3-8(4-2-7)27-16-21-10-13(18)19-6-20-14(10)22(16)15-12(25)11(24)9(5-23)26-15/h1-4,6,9,11-12,15,23-25H,5H2,(H2,18,19,20)/t9-,11-,12-,15-/m1/s1
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InChIKey
NFZMOKLQFVMWGI-SDBHATRESA-N
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CAS Registry Number
85352-87-0
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PubChem CID
11047865
1 reference
matched by identifier from
InChIKey
InChIKey
NFZMOKLQFVMWGI-SDBHATRESA-N
UniChem compound ID
26856360
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00453239
1 reference
matched by identifier from
InChIKey
InChIKey
NFZMOKLQFVMWGI-SDBHATRESA-N
DSSTOX compound identifier
DTXCID90404058
0 references
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