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Spironolactone-[d6]

General Information
Catalog: BLP-015291
Molecular Formula: C24H26D6O4S
Molecular Weight: 422.61
Chemical Structure
Spironolactone-[d6]
Description Spironolactone-[d6] is an isotope labelled Spironolactone, a potassium-sparing diuretic used to treat high blood pressure and heart failure.
Synonyms Spironolactone-d6; S-((7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl-2,2,4,4',4',7-d6) ethanethioate
IUPAC Name S-[(7R,10R,13S,17R)-3',3',4',4',16,16-hexadeuterio-10,13-dimethyl-3,5'-dioxospiro[1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
Related CAS 52-01-7 (unlabelled)
Canonical SMILES [2H]C1(CC2C3[C@@H](CC4=CC(=O)CC[C@@]4(C3CC[C@@]2([C@]15C(C(C(=O)O5)([2H])[2H])([2H])[2H])C)C)SC(=O)C)[2H]
InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17?,18?,19-,21?,22+,23+,24-/m1/s1/i7D2,10D2,11D2
InChI Key LXMSZDCAJNLERA-MWPZMKMXSA-N

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