(Q82982490)

English

3-(Dimethylamino)bicyclo[2.2.2]octan-2-yl hydrogen [3-(hexyloxy)phenyl]carbonimidate--hydrogen chloride (1/1)

group of stereoisomers with the chemical formula C₂₃H₃₇ClN₂O₃

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Statements

group of stereoisomers

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chemical compound

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424.24927072400004 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₇ClN₂O₃

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCOc1cccc(N=C(O)OC2C3CCC(CC3)C2N(C)C)c1.Cl

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCOc1cccc(N=C(O)O[C@H]2C3CCC(CC3)[C@@H]2N(C)C)c1.Cl

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C23H36N2O3.ClH/c1-4-5-6-7-15-27-20-10-8-9-19(16-20)24-23(26)28-22-18-13-11-17(12-14-18)21(22)25(2)3;/h8-10,16-18,21-22H,4-7,11-15H2,1-3H3,(H,24,26);1H/t17?,18?,21-,22-;/m0./s1

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ORHDNPHPEDYFFI-CPPADOMPSA-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

DTXCID901419441

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