(Q82949996)

English

6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate--5-chloro-7-iodoquinolin-8-ol (1/1)

group of stereoisomers with the chemical formula C₃₆H₄₁ClF₂INO₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

799.158434772 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₁ClF₂INO₇

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C.Oc1c(I)cc(Cl)c2cccnc12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C.Oc1c(I)cc(Cl)c2cccnc12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H36F2O6.C9H5ClINO/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3;1-4,13H/t14-,16+,17+,19+,20+,24+,25+,26?,27+;/m1./s1

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InChIKey

CVUQAAZGOGWDCF-SAPBVRDASA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID501395003

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(Q82949996)

6,9-Difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate--5-chloro-7-iodoquinolin-8-ol (1/1)

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Identifiers

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