(Q82006112)

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)

In more languages

Statements

type of chemical entity

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chemical compound

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546.114683736 dalton

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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=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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PANUJQHPGAYGOI-UHFFFAOYSA-N

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CAS Registry Number

reason for deprecated rank

withdrawn identifier value

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1 reference

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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DTXCID201374997

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