(Q82922660)

English

Oxalic acid--1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}-4-(4-methoxyphenyl)piperazine (1/1)

chemical compound

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Statements

type of chemical entity

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chemical compound

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526.1870643919999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₁ClN₂O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc(N2CCN(CCOC(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.O=C(O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C26H29ClN2O2.C2H2O4/c1-30-25-13-11-24(12-14-25)29-17-15-28(16-18-29)19-20-31-26(21-5-3-2-4-6-21)22-7-9-23(27)10-8-22;3-1(4)2(5)6/h2-14,26H,15-20H2,1H3;(H,3,4)(H,5,6)

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XGENWMRCNATGIW-UHFFFAOYSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID401373652

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