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English
1-(o-Chlorophenyl)-4-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)piperazine oxalate
chemical compound
Oxalic acid--1-(2-chlorophenyl)-4-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)piperazine (1/1)
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
546.114683736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₈Cl₂N₂O₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Clc1ccc(C(SCCN2CCN(c3ccccc3Cl)CC2)c2ccccc2)cc1.O=C(O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H26Cl2N2S.C2H2O4/c26-22-12-10-21(11-13-22)25(20-6-2-1-3-7-20)30-19-18-28-14-16-29(17-15-28)24-9-5-4-8-23(24)27;3-1(4)2(5)6/h1-13,25H,14-19H2;(H,3,4)(H,5,6)
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InChIKey
PANUJQHPGAYGOI-UHFFFAOYSA-N
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CAS Registry Number
96076-82-3
reason for deprecated rank
withdrawn identifier value
1 reference
stated in
SciFinder
23905-00-2
1 reference
stated in
SciFinder
PubChem CID
91037
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66858664
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00275877
0 references
DTXSID90946721
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DSSTOX compound identifier
DTXCID50227245
0 references
DTXCID201374997
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