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(Q82243875)
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English
NSC374909
group of stereoisomers with the chemical formula C₁₆H₁₈N₃O₅PS
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
395.0704783059999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈N₃O₅PS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1cn(C2CC3OP(=S)(Nc4ccccc4)OCC3O2)c(=O)nc1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1cn(C2CC3O[P@](=S)(Nc4ccccc4)OCC3O2)c(=O)nc1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H18N3O5PS/c1-10-8-19(16(21)17-15(10)20)14-7-12-13(23-14)9-22-25(26,24-12)18-11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,26)(H,17,20,21)/t12?,13?,14?,25-/m0/s1
0 references
InChIKey
CXIBZMSGJSGVRA-ONPLQNLLSA-N
0 references
CAS Registry Number
73098-26-7
0 references
PubChem CID
9569437
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
44035732
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10430394
0 references
DSSTOX compound identifier
DTXCID20381227
0 references
NSC number
374909
0 references
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