(Q82066432)

English

NSC285229

group of stereoisomers with the chemical formula C₃₁H₃₈N₂O₅

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Statements

group of stereoisomers

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chemical compound

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518.2780723159999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₈N₂O₅

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based on heuristic

inferred from SMILES

canonical SMILES

CCC1CC2CN3CCc4c([nH]c5ccc(OC)c(Cc6ccc(OC)c(OC)c6)c45)C(C(=O)OC)(C2)C13

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccc(OC)c(Cc6ccc(OC)c(OC)c6)c45)C(C(=O)OC)(C2)C13

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C31H38N2O5/c1-6-20-13-19-16-31(30(34)38-5)28-21(11-12-33(17-19)29(20)31)27-22(24(35-2)10-8-23(27)32-28)14-18-7-9-25(36-3)26(15-18)37-4/h7-10,15,19-20,29,32H,6,11-14,16-17H2,1-5H3/t19-,20+,29?,31?/m0/s1

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AOEMOQNQLRCUBZ-OLMQRSAJSA-N

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CAS Registry Number

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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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