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(Q82246481)
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SCHEMBL7076616
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
406.23285343999993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₃₀N₆O₄
0 references
canonical SMILES
CCCCNc1nc2c(NC3CCCC3)ncnc2n1C1OC(CO)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCNC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4
0 references
Identifiers
InChI
InChI=1S/C19H30N6O4/c1-2-3-8-20-19-24-13-16(23-11-6-4-5-7-11)21-10-22-17(13)25(19)18-15(28)14(27)12(9-26)29-18/h10-12,14-15,18,26-28H,2-9H2,1H3,(H,20,24)(H,21,22,23)/t12-,14-,15-,18-/m1/s1
0 references
InChIKey
FZFITDOIQWMJEQ-SCFUHWHPSA-N
0 references
CAS Registry Number
174365-19-6
0 references
PubChem CID
9887609
1 reference
matched by identifier from
InChIKey
InChIKey
FZFITDOIQWMJEQ-SCFUHWHPSA-N
UniChem compound ID
31753410
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10432419
1 reference
matched by identifier from
InChIKey
InChIKey
FZFITDOIQWMJEQ-SCFUHWHPSA-N
DSSTOX compound identifier
DTXCID80383247
0 references
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