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

Basic Information

Drug ID DDPD00982 ...
Drug Name Isotretinoin
Molecular Weight 300.4351
Molecular Formula C20H28O2
CAS Number 4759-48-2
SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O
External Links
DRUGBANK DB00982
PubChem Compound 5282379
PDR 1651
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 5.66 - 5.66 - https://www.sciencedirect.com/science/article/pii/S0927775716305817
Boiling Point 462.8 ℃ 462.8 ℃ http://www.chemspider.com/Chemical-Structure.4445539.html
Melting Point 189.5 ℃ 189-190 ℃ MSDS
Water Solubility 4.77 mg/L 0.00477 mg/ml https://www.sciencedirect.com/science/article/pii/S0927775716305817
pKa 4.0 - ~4 - https://www.rochecanada.com/content/dam/rochexx/roche-ca/products/ConsumerInformation/MonographsandPublicAdvisories/Accutane/Accutane_PM_E.pdf

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
AUC 4055.0 ng.h/ml 4055.0 ng.h/ml PO, oral; fasting; DRUGBANK
AUC 6095.0 ng.h/ml 6095.0 ng.h/ml PO, oral; high-fat meal; DRUGBANK
Bioavailability 40.0 % 40.0 % PO, oral; The Pharmacological Basis of Therapeutics
C Max 292.5 ng/ml 74-511 ng/ml PO, oral; DRUGBANK
C Max 314.0 ng/ml 314 ng/ml PO, oral; fasting; DRUGBANK
C Max 395.0 ng/ml 395 ng/ml PO, oral; high-fat meal; DRUGBANK
C Max 208.0 ng/ml 208±92 ng/ml PO, oral; The Pharmacological Basis of Therapeutics
C Max 473.0 ng/ml 473±171 ng/ml PO, oral; Active metabolite; The Pharmacological Basis of Therapeutics
T Max 2.5 h 1-4 h PO, oral; DRUGBANK
T Max 2.9 h 2.9 h PO, oral; fasting; DRUGBANK
T Max 6.4 h 6.4 h PO, oral; high-fat meal; DRUGBANK
T Max 4.5 h 4.5±3.4 h PO, oral; The Pharmacological Basis of Therapeutics
T Max 6.8 h 6.8±6.5 h PO, oral; Active metabolite; The Pharmacological Basis of Therapeutics
Clearance 15.9 L/h 15.9 L/h neuroblastoma; pediatric patients; DRUGBANK
Clearance 1.3 L/h/kg 21.3 ml/min/kg guinea pigs; DRUGBANK
Clearance 0.43 L/h/kg 7.2 ml/min/kg Rattus, Rat; Obesity; DRUGBANK
Clearance 0.33 L/h/kg 5.5(0.9-11.1) ml/min/kg apparent clearance; The Pharmacological Basis of Therapeutics
Volume of Distribution 85.0 L 85.0 L neuroblastoma; pediatric patients; DRUGBANK
Volume of Distribution 2.4 L/kg 2423.0 ml/kg guinea pigs; DRUGBANK
Volume of Distribution 1.7 L/kg 1716.0 ml/kg Rattus, Rat; Obesity; DRUGBANK
Volume of Distribution 5.0 L/kg 5(1-32) L/kg Apparent volume of distribution; The Pharmacological Basis of Therapeutics
Half-life 23.0 h 7-39 h DRUGBANK
Half-life 20.0 h 20 h elimination half-life; DRUGBANK
Half-life 33.5 h 17-50 h DRUGBANK
Half-life 25.0 h 25 h elimination half-life; DRUGBANK
Half-life 17.0 h 17(5-167) h The Pharmacological Basis of Therapeutics
Half-life 29.0 h 29±6 h The Pharmacological Basis of Therapeutics
Eliminate Route 63.5 % 53-74 % Faeces excretion; PO, oral; Unchanged drug; DRUGBANK
Eliminate Route 0 % ~0 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 99.9 % >99.9 % DRUGBANK
Protein Binding 99.0 % >99 % The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for children 1.0 mg/kg/day 1 mg/kg/day PO, oral Claravis isotretinoin PDR
Max dose for children 0.8 mg/kg/day 0.8 mg/kg/day PO, oral Claravis isotretinoin PDR
Max dose for adolescents 1.0 mg/kg/day 1 mg/kg/day PO, oral Claravis isotretinoin PDR
Max dose for adolescents 0.8 mg/kg/day 0.8 mg/kg/day PO, oral Claravis isotretinoin PDR
Max dose for adults 2.0 mg/kg/day 2 mg/kg/day PO, oral Claravis isotretinoin PDR
Max dose for adults 1.6 mg/kg/day 1.6 mg/kg/day PO, oral Claravis isotretinoin PDR
Max dose for geriatric 2.0 mg/kg/day 2 mg/kg/day PO, oral Claravis isotretinoin PDR
Max dose for geriatric 1.6 mg/kg/day 1.6 mg/kg/day PO, oral Claravis isotretinoin 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