Chemical Properties of Spironolactone (CAS 52-01-7)

Spironolactone

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
InChI Key
LXMSZDCAJNLERA-PJKOONHHSA-N
Formula
C24H32O4S
SMILES
CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12
Molecular Weight1
416.57
CAS
52-01-7
Other Names
  • 17-Hydroxy-7«alpha»-mercapto-3-oxo-17«alpha»-pregn-4-ene-21-carboxylic acid «gamma»-lactone 7-acetate
  • 17-Hydroxy-7«alpha»-mercapto-3-oxo-17«alpha»-pregn-4-ene-21-carboxylic acid «gamma»-lactone acetate
  • 17-«alpha»-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-«alpha»-mercapto-3-oxo-«gamma»-lactone
  • 17«alpha»-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7«alpha»-mercapto-3-oxo-, «gamma»-lactone, acetate
  • 3'-(3-Oxo-7-«alpha»-acetylthio-17-«beta»-hydroxyandrost-4-en-17-«beta»-yl)propionic acid lactone
  • 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»-hydroxy-4-androsten-17«alpha»-yl)propionic acid-«gamma»-lactone
  • 7-«alpha»-(acetylthio)-17-«alpha»-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, «gamma»-lactone
  • 7-«alpha»-Acetylthio-3-oxo-17-«alpha»-pregn-4-ene-21,17-«beta»-carbolactone
  • Abbolactone
  • Acelat
  • Aldace
  • Aldactone
  • Aldactone A
  • Alderon
  • Aldopur
  • Almatol
  • Altex
  • Aquareduct
  • Berlactone
  • Deverol
  • Diatensec
  • Dira
  • Duraspiron
  • Euteberol
  • Lacalmin
  • Lacdene
  • Laractone
  • Melarcon
  • Nefurofan
  • Osiren
  • Osyrol
  • Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, «gamma»-lactone, (7«alpha»,17«alpha»)-
  • SC 15983
  • SC 9420
  • Sagisal
  • Sincomen
  • Spiresis
  • Spiretic
  • Spiridon
  • Spiro-Tablinen
  • Spiroctan
  • Spiroctanie
  • Spiroderm
  • Spirolactone
  • Spirolakton
  • Spirolang
  • Spirolone
  • Spirone
  • Spironocompren
  • Spironolactone A
  • Supra-puren
  • Suracton
  • Uractone
  • Urusonin
  • Verospiron
  • Verospirone
  • Xenalon
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Physical Properties

Property Value Unit Source
ΔfusH° 33.88 kJ/mol Joback Calculated Property
log10WS [-4.28; -4.17]   Show Hide
log10WS -4.28 Aq. Solubility Prediction
log10WS -4.17 Estimated Solubility
logPoct/wat 4.852 Crippen Calculated Property
McVol 317.350 ml/mol McGowan Calculated Property
Inp [3280.00; 3280.00]   Show Hide
Inp 3280.00 NIST
Inp 3280.00 NIST
Tfus [480.65; 481.57] K Show Hide
Tfus 481.57 K Determination and correlation of solubility of spironolactone form II in pure solvents and binary solvent mixtures
Tfus 480.65 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1224.22; 1533.41] J/mol×K [1043.71; 1309.16] Show Hide
Cp,gas 1224.22 J/mol×K 1043.71 Joback Calculated Property
Cp,gas 1264.66 J/mol×K 1087.95 Joback Calculated Property
Cp,gas 1308.66 J/mol×K 1132.19 Joback Calculated Property
Cp,gas 1356.88 J/mol×K 1176.44 Joback Calculated Property
Cp,gas 1409.97 J/mol×K 1220.68 Joback Calculated Property
Cp,gas 1468.60 J/mol×K 1264.92 Joback Calculated Property
Cp,gas 1533.41 J/mol×K 1309.16 Joback Calculated Property

Similar Compounds

Strychnine. BUPRENORPHINE. 3-O,6-O,N-Triacetylnormorphine. DIHYDROERGOKRYPTINE. Nicocodine. Benzylmorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. QUINIDINE, M(HO-), AC. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ergocristine. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

Find more compounds similar to Spironolactone.

Mixtures

Sources

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