
API0232271
Spironolactone
Spirapril Hydrochloride is an ACE inhibitor used for hypertension.
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CAS No.
52-01-7
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Synonyms
spironolactone; 19000; Spirolactone
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CHEMBL ID
CHEMBL1393
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Indications
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Molecule Type
Small molecule
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Compound CID
5833
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Molecular Weight (g/mol)
416.6
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Molecular Formula
C24H32O4S
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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+/m0/s1
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InChIKey
LXMSZDCAJNLERA-ZHYRCANASA-N
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SMILES
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C
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IUPAC Name
S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
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Exact Mass (Da)
416.20213067
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Monoisotopic Mass (Da)
416.20213067
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