Compound - Results

Spironolactone

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Information Structure
Name Spironolactone
Synonyms
17-Hydroxy-7alpha-mercapto-3-oxo-17alpha-pregn-4-ene-21-carboxylic Acid, Gamma-lactone Acetate
17alpha-Pregn-4-ene-21-carboxylic Acid, 17-hydroxy-7alpha-mercapto-3-oxo-, Gamma-lactone, Acetate
3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic Acid Lactone
3-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic Acid Lactone
4-18-00-01601 (Beilstein Handbook Reference)
7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone
Acelat
Aldactone
Aldactone A
Alderon
BRN 0057767
Dira
EINECS 200-133-6
Espironolactona
Euteberol
HSDB 3184
Melarcon
NSC 150399
Pregn-4-ene-21-carboxylic Acid, 7-(acetylthio)-17-hydroxy-3-oxo-, Gamma-lactone, (7alpha,17alpha)-
SC 15983
SC 9420
Spiresis
Spiridon
Spiro(17H-cyclopenta(a)phenauthrene-17,2-(3H)-furan)
Spiro-Tablinen
Spiroctan
Spirolactone
Spirolang
Spirone
Spironocompren
Spironolactone
Spironolactone A
Spironolactonum
Spironolattone
Uractone
Urusonin
Verospiron
Verospirone
Xenalon
ATC C03DA01
CID 5267
CAS 000052017
SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13
Formula C24H32O4S
Molweight 416.573
Atoms 29
LogP 4.8523
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2C8Inhibitor 15601807
3A4Inducer 12011477
3A5Inducer 12011477
11B1Inhibitor Inducer 7663533
11996015
Phase2 interactions
NameReferences
UGT 3120728,
2127732
Extrarenal fraction 1.0
Elimination half-life 1.3h
Potassium Canrenoate

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Information Structure
Name Potassium canrenoate
Synonyms
Aldadiene-kalium
Aldadiene-potassium
Canrenoate De Potassium
Canrenoate Potassium
Canrenoato Potasico
Canrenone Free Acid Potassium Salt
EINECS 218-554-9
Kalii Canrenoas
Potassium 17-hydroxy-3-oxo-17-alpha-pregna-4,6-diene-21-carboxylate
Potassium 17-hydroxy-3-oxo-17alpha-pregna-4,6-diene-21-carboxylate
Potassium 3-(17-beta-hydroxy-3-oxoandrosta-4,6-dien-17-yl)propionate
Potassium 3-(3-oxo-17-beta-hydroxy-4,6-androstadien-17-alpha-yl)propanoate
Potassium Canrenoate
SC-14266
Soldactone
ATC C03DA02
CID 23671691
CAS 002181046
SMILES C[C@@]12CCC(=O)C=C1C=C[C@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C([O-])=O
Formula C22H29KO4
Molweight 396.562
Atoms 30
LogP 2.5555
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 4
Canrenone

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Information Structure
Name Canrenone
Synonyms
11614 R. P.
11614 R.P
17-Hydroxy-3-oxo-17alpha-pregna-4,6-diene-21-carboxylic Acid Gamma-lactone
17alpha-(2-Carboxyethyl)-17beta-hydroxyandrosta-4,6-dien-3-one Lactone
5-17-11-00476 (Beilstein Handbook Reference)
Aldadiene
Aldadiene (VAN)
BRN 0046602
Canrenona
Canrenone
Canrenonum
EINECS 213-554-5
NSC 261713
Phanurane
RP 11641
SC 9376
Spirolactone SC 14266
ATC C03DA03
CID 13789
CAS 000976716
SMILES C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(=O)O5
Formula C22H28O3
Molweight 340.456
Atoms 28
LogP 4.3701
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P19634Sodium/hydrogen exchanger 1 12557155
Eplerenone

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Information Structure
Name Eplerenone
Synonyms
7alpha,21-dicarboxylic Acid, Gamma-lactone, Methyl Ester
9,11alpha-Epoxy-17-hydroxy-3-oxo-17alpha-pregn-4-ene-
Cgp 30083
Eplerenone
Inspra
ATC C03DA04
CID 443872
CAS 107724209
SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]34O[C@@H]3C[C@@]5(C)[C@@H](CC[C@@]56CCC(=O)O6)[C@@H]14
Formula C24H30O6
Molweight 414.491
Atoms 30
LogP 3.1245
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 6
CYP interactions
NameRelationsReferences
3A4Substrate 14503934
12433801
3A5Substrate medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
11B2Inhibitor 16505212
Transporter
AC-No.NameReferences
P19634Sodium/hydrogen exchanger 1 12557155
Extrarenal fraction 0.98
Elimination half-life 5h