(Q82876812)

English

9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl chloro(diphenyl)acetate--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₂₃H₂₇Cl₂NO₂

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Statements

group of stereoisomers

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chemical compound

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419.141884464 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₇Cl₂NO₂

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based on heuristic

inferred from SMILES

canonical SMILES

CN1C2CCCC1CC(OC(=O)C(Cl)(c1ccccc1)c1ccccc1)C2.Cl

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1[C@@H]2CCC[C@H]1CC(OC(=O)C(Cl)(c1ccccc1)c1ccccc1)C2.Cl

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C23H26ClNO2.ClH/c1-25-19-13-8-14-20(25)16-21(15-19)27-22(26)23(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,19-21H,8,13-16H2,1H3;1H/t19-,20+,21?;

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KRJATBMNCRRHQB-ILOBMFFHSA-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

DTXCID001336755

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