(Q82230844)

English

NSC404366

group of stereoisomers with the chemical formula C₁₉H₂₅NO₃

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Statements

group of stereoisomers

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chemical compound

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315.18344366 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₅NO₃

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based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc2c(c1O)C13CCN(C)C(C2)C1CCC(=O)C3C

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@H]1CCC(=O)C3C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H25NO3/c1-11-15(21)6-5-13-14-10-12-4-7-16(23-3)18(22)17(12)19(11,13)8-9-20(14)2/h4,7,11,13-14,22H,5-6,8-10H2,1-3H3/t11?,13-,14-,19-/m1/s1

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KSWTVOIQZBRWIZ-HBYOYIHUSA-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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