(Q82006101)

English

1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(o-tolyl)piperazine oxalate

chemical compound

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Statements

type of chemical entity

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chemical compound

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526.1693061519999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₁ClN₂O₄S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

Cc1ccccc1N1CCN(CCSC(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C26H29ClN2S.C2H2O4/c1-21-7-5-6-10-25(21)29-17-15-28(16-18-29)19-20-30-26(22-8-3-2-4-9-22)23-11-13-24(27)14-12-23;3-1(4)2(5)6/h2-14,26H,15-20H2,1H3;(H,3,4)(H,5,6)

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TXVGRLXGNIQFEJ-UHFFFAOYSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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