(Q82890729)

English

9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate--5-chloro-7-iodoquinolin-8-ol (1/1)

group of stereoisomers with the chemical formula C₃₇H₄₂ClFINO₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

809.1627712039999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₂ClFINO₈

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C.Oc1c(I)cc(Cl)c2cccnc12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C.Oc1c(I)cc(Cl)c2cccnc12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H37FO7.C9H5ClINO/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3;1-4,13H/t16-,19-,20-,21-,25-,26-,27?,28-;/m0./s1

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InChIKey

IXUUNJQLJXHOAG-XEMJQECLSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101347519

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(Q82890729)

9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate--5-chloro-7-iodoquinolin-8-ol (1/1)

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