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(Q83041309)
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English
Benzenecarboximidamide, 4,4'-((2,3-dihydroxy-1,4-butanediyl)bis(oxy))bis-, (R*,S*)-
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
358.164105184
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₂N₄O₄
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canonical SMILES
N=C(N)c1ccc(OCC(O)C(O)COc2ccc(C(=N)N)cc2)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC=C1C(=N)N)OC[C@H]([C@H](COC2=CC=C(C=C2)C(=N)N)O)O
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Identifiers
InChI
InChI=1S/C18H22N4O4/c19-17(20)11-1-5-13(6-2-11)25-9-15(23)16(24)10-26-14-7-3-12(4-8-14)18(21)22/h1-8,15-16,23-24H,9-10H2,(H3,19,20)(H3,21,22)/t15-,16+
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InChIKey
YWHQBFNXBMLONH-IYBDPMFKSA-N
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CAS Registry Number
181883-51-2
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PubChem CID
464970
1 reference
matched by identifier from
InChIKey
InChIKey
YWHQBFNXBMLONH-IYBDPMFKSA-N
UniChem compound ID
312683
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30171212
1 reference
matched by identifier from
InChIKey
InChIKey
YWHQBFNXBMLONH-IYBDPMFKSA-N
DSSTOX compound identifier
DTXCID1093703
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