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PD 144418
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
PD144418.png
1,553 × 446; 13 KB
0 references
mass
372.16852186799986
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄N₂O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1.O=C(O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H22N2O.C2H2O4/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15;3-1(4)2(5)6/h5-9,12H,3-4,10-11,13H2,1-2H3;(H,3,4)(H,5,6)
0 references
InChIKey
IWSFHSVGBKPYFN-UHFFFAOYSA-N
0 references
CAS Registry Number
154130-99-1
1 reference
imported from Wikimedia project
English Wikipedia
PubChem CID
53447361
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IWSFHSVGBKPYFN-UHFFFAOYSA-N
UniChem compound ID
61095387
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90703437
0 references
DTXSID101336203
1 reference
matched by identifier from
InChIKey
InChIKey
IWSFHSVGBKPYFN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20654185
0 references
Probes And Drugs ID
PD079438
0 references
Freebase ID
/m/0k0qhxh
0 references
Sitelinks
Wikipedia
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enwiki
PD 144418
zhwiki
PD 144418
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