Spironolactone , ≥97% , 52-01-7

Synonym(s):
4-Pregnen-21-oic acid-17α-ol-3-one-7α-thiol γ-lactone 7-acetate;7α-(Acetylthio)-17α-hydroxy-3-oxopregn-4-ene-21-carboxylic acid γ-lactone;Spironolactone

CAS NO.：52-01-7

Empirical Formula: C24H32O4S

Molecular Weight: 416.58

MDL number: MFCD00082250

EINECS: 200-133-6

PRODUCT Properties

• Melting point: 207-208 °C (lit.)
• alpha: -37 º (c=1, CHCl3)
• Boiling point: 504.87°C (rough estimate)
• Density: 1.1061 (rough estimate)
• refractive index: -36 ° (C=1, CHCl3)
• storage temp.: 2-8°C
• solubility: Practically insoluble in water, soluble in ethanol (96 per cent).
• form: Powder
• color: White to yellow-white
• Water Solubility: practically insoluble
• Merck: 14,8760
• BCS Class: 2,4,3
• Major Application: pharmaceutical (small molecule)
• Cosmetics Ingredients Functions: NOT REPORTED
• InChIKey: LXMSZDCAJNLERA-ZHYRCANASA-N
• 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
• LogP: 2.780
• CAS DataBase Reference: 52-01-7(CAS DataBase Reference)
• IARC: 3 (Vol. Sup 7, 79) 2001
• NIST Chemistry Reference: Spironolactone(52-01-7)
• EPA Substance Registry System: Spironolactone (52-01-7)

Description and Uses

diuretic, aldosterone antagonist

Safety

• Symbol(GHS): GHS08
• Signal word: Danger
• Hazard statements: H360
• Precautionary statements: P201-P280-P308+P313
• Hazard Codes: T,Xn,Xi
• Risk Statements: 60-40-36/37/38
• Safety Statements: 53-22-36/37/39-45-36-26
• WGK Germany: 3
• RTECS: TU4725000
• TSCA: TSCA listed
• HS Code: 29321900
• Storage Class: 6.1C - Combustible acute toxic Cat.3; toxic compounds or compounds which causing chronic effects
• Hazard Classifications: Carc. 2; Repr. 1B; STOT RE 2
• Hazardous Substances Data: 52-01-7(Hazardous Substances Data)
• Toxicity: LD50 in rats, mice, rabbits (mg/kg): 790, 360, 870 i.p. (IARC, 1980)