(Q82985729)

English

1-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium iodide

group of stereoisomers with the chemical formula C₂₂H₂₉IN₂O₂

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Statements

group of stereoisomers

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chemical compound

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480.127376168 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₉IN₂O₂

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based on heuristic

inferred from SMILES

canonical SMILES

C=CC1C[N+]2(CC)CCC1CC2C(O)c1ccnc2ccc(OC)cc12.[I-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=CC1C[N+]2(CC)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.[I-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C22H29N2O2.HI/c1-4-15-14-24(5-2)11-9-16(15)12-21(24)22(25)18-8-10-23-20-7-6-17(26-3)13-19(18)20;/h4,6-8,10,13,15-16,21-22,25H,1,5,9,11-12,14H2,2-3H3;1H/q+1;/p-1/t15?,16?,21-,22+,24?;/m1./s1

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QGKRCDXLQCXCNP-NYHCBIMJSA-M

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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

DTXCID001421734

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