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(Q82006371)
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Q82864903
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English
1-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-3-octadec-1-enylpyrrolidine-2,5-dione
chemical compound
2,5-Pyrrolidinedione, 1-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-3-(1-octadecen-1-yl)-
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
734.2324020520002
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₇H₄₆Cl₄N₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCCCCC=CC1CC(=O)N(c2ccc(Cl)c(N=C3CC(=O)N(c4c(Cl)cc(Cl)cc4Cl)N3)c2)C1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C37H46Cl4N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21-34(46)44(37(26)48)28-19-20-29(39)32(24-28)42-33-25-35(47)45(43-33)36-30(40)22-27(38)23-31(36)41/h17-20,22-24,26H,2-16,21,25H2,1H3,(H,42,43)
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InChIKey
LCMUHVMMDCDURS-UHFFFAOYSA-N
0 references
CAS Registry Number
113436-86-5
reason for deprecated rank
withdrawn identifier value
1 reference
stated in
SciFinder
55697-65-9
1 reference
InChIKey
LCMUHVMMDCDURS-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=55697-65-9
PubChem CID
135518420
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50330419
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30276054
0 references
DTXSID00886144
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DSSTOX compound identifier
DTXCID10227408
0 references
DTXCID701025486
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AICS Chemical ID (BEING DELETED)
20343
0 references
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