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(Q82917069)
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English
N-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl}-9H-fluorene-2-carboximidic acid--hydrogen chloride (1/1)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
529.14544562
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₀Cl₃N₃O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl.OC(=NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H29Cl2N3O.ClH/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24;/h1-2,5-11,19H,3-4,12-18H2,(H,31,34);1H
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InChIKey
PFIWYJNBKGCVFM-UHFFFAOYSA-N
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CAS Registry Number
189060-98-8
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PubChem CID
19366304
1 reference
matched by identifier from
InChIKey
InChIKey
PFIWYJNBKGCVFM-UHFFFAOYSA-N
DSSTox substance ID
DTXSID00940417
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DSSTOX compound identifier
DTXCID901368882
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Probes And Drugs ID
PD021688
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