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(Q82137003)
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English
Theophylline, n-propyl derivative
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
222.111675688
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₄N₄O₂
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canonical SMILES
CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C
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Identifiers
InChI
InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
0 references
InChIKey
HGFWMGARSDHJFP-UHFFFAOYSA-N
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CAS Registry Number
27760-74-3
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PubChem CID
847168
1 reference
matched by identifier from
InChIKey
InChIKey
HGFWMGARSDHJFP-UHFFFAOYSA-N
UniChem compound ID
329074
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20357200
1 reference
matched by identifier from
InChIKey
InChIKey
HGFWMGARSDHJFP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40308259
0 references
PDB ligand ID
E7R
0 references
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