(Q82961510)

English

Oxalic acid--methyl 4-[phenyl(propanoyl)amino]-1-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxylate (1/1)

chemical compound

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Statements

type of chemical entity

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chemical compound

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490.17737229999994 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀N₂O₇S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2cccs2)CC1.O=C(O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C22H28N2O3S.C2H2O4/c1-3-20(25)24(18-8-5-4-6-9-18)22(21(26)27-2)12-15-23(16-13-22)14-11-19-10-7-17-28-19;3-1(4)2(5)6/h4-10,17H,3,11-16H2,1-2H3;(H,3,4)(H,5,6)

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BABZHNGIRGHXSO-UHFFFAOYSA-N

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CAS Registry Number

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DSSTox substance ID

1 reference

matched by identifier from

BABZHNGIRGHXSO-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID801403956

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