Basic Information Experimental Physicochemical Property Pharmacokinetic/Toxicokinetic Property Maximum Dosage Drug Property Radar Chart

Basic Information

Drug ID DDPD00421 ...
Drug Name Spironolactone
Molecular Weight 416.573
Molecular Formula C24H32O4S
CAS Number 52-01-7
SMILES [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O
External Links
DRUGBANK DB00421
T3DB T3D4753
PubChem Compound 5833
PDR 24131
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 2.78 - 2.78 - https://www.ncbi.nlm.nih.gov/pubmed/26642673
Boiling Point 201.0 ℃ 201 ℃ [MSDS]
Melting Point 134.5 ℃ 134.5 ℃ [MSDS]

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
AUC 2103.0 ng.h/ml 2103.0 ng.h/ml PO, oral; DRUGBANK
AUC 4544.0 ng.h/ml 4544.0 ng.h/ml PO, oral; food; food ↑ ; DRUGBANK
Bioavailability 95.4 % 95.4 % PO, oral; food; food ↑ ; DRUGBANK
C Max 209.0 ng/ml 209.0 ng/ml PO, oral; DRUGBANK
C Max 301.0 ng/ml 301.0 ng/ml PO, oral; food; food ↑ ; DRUGBANK
C Max 185.0 ng/ml 185±51 ng/ml PO, oral; The Pharmacological Basis of Therapeutics
C Max 231.0 ng/ml 231±49 ng/ml PO, oral; Active metabolite; The Pharmacological Basis of Therapeutics
C Max 571.0 ng/ml 571±74 ng/ml PO, oral; Active metabolite; The Pharmacological Basis of Therapeutics
C Max 202.0 ng/ml 202±54 ng/ml PO, oral; Active metabolite; The Pharmacological Basis of Therapeutics
T Max 2.6 h 2.6 h DRUGBANK
T Max 4.3 h 4.3 h Active metabolite; DRUGBANK
T Max 2.3 h 2.28 h PO, oral; DRUGBANK
T Max 3.1 h 3.05 h PO, oral; food; food ↑ ; DRUGBANK
T Max 1.0 h 1.0 h PO, oral; The Pharmacological Basis of Therapeutics
T Max 2.9 h 2.9±0.6 h PO, oral; Active metabolite; The Pharmacological Basis of Therapeutics
T Max 1.8 h 1.8±0.5 h PO, oral; Active metabolite; The Pharmacological Basis of Therapeutics
T Max 3.1 h 3.1±0.9 h PO, oral; Active metabolite; The Pharmacological Basis of Therapeutics
Clearance 5.6 L/h/kg 93.0 ml/min/kg apparent clearance; The Pharmacological Basis of Therapeutics
Volume of Distribution 10.0 L/kg 10.0 L/kg Apparent volume of distribution; The Pharmacological Basis of Therapeutics
Half-life 1.4 h 1.4 h DRUGBANK
Half-life 1.3 h 1.3±0.3 h Oral single dose; chronic liver disease ↑ ; The Pharmacological Basis of Therapeutics
Half-life 11.2 h 11.2±2.3 h Active metabolite; Oral single dose; chronic liver disease ↑ ; The Pharmacological Basis of Therapeutics
Half-life 2.8 h 2.8±0.4 h Active metabolite; Oral single dose; chronic liver disease ↑ ; The Pharmacological Basis of Therapeutics
Half-life 10.1 h 10.1±2.3 h Active metabolite; Oral single dose; chronic liver disease ↑ ; The Pharmacological Basis of Therapeutics
Toxicity LD50 1000.0 mg/kg >1 g/kg PO, oral; mouse; Rattus, Rat; rabbit; DRUGBANK
Toxicity LD50 1000.0 mg/kg >1000 mg/kg PO, oral; mouse; Rattus, Rat; rabbit; T3DB
Eliminate Route 49.0 % 42-56 % Urinary excretion; DRUGBANK
Eliminate Route 14.4 % 14.2-14.6 % Faeces excretion; DRUGBANK
Eliminate Route 1.0 % <1 % Urinary excretion; PO, oral; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 98.0 % 98 % DRUGBANK
Protein Binding 90.0 % >90 % The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for neonates 4.0 mg/kg/day 4 mg/kg/day PO, oral CaroSpir carospir PDR
Max dose for infants 4.0 mg/kg/day 4 mg/kg/day PO, oral CaroSpir carospir PDR
Max dose for children 4.0 mg/kg/day 4 mg/kg/day PO, oral CaroSpir carospir PDR
Max dose for children 200.0 mg/day 200 mg/day PO, oral CaroSpir carospir PDR
Max dose for adolescents 4.0 mg/kg/day 4 mg/kg/day PO, oral CaroSpir carospir PDR
Max dose for adolescents 200.0 mg/day 200 mg/day PO, oral CaroSpir carospir PDR
Max dose for adults 400.0 mg/day 400 mg/day PO, oral CaroSpir carospir PDR
Max dose for geriatric 400.0 mg/day 400 mg/day PO, oral CaroSpir carospir PDR

Drug Property Radar Chart

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Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1