(Q82956446)

English

6,11-Dimethyl-3-[(oxolan-2-yl)methyl]-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol--hydrogen chloride (1/1)

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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337.18085681599996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₈ClNO₂

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based on heuristic

inferred from SMILES

canonical SMILES

CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CCCO1.Cl

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1[C@H]2Cc3ccc(O)cc3C1(C)CCN2C[C@H]1CCCO1.Cl

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H27NO2.ClH/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16;/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3;1H/t13?,16-,18-,19?;/m1./s1

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XOZIUUNFGMUEJB-SCTOBIOHSA-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

DTXCID401400124

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