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

Basic Information

Drug ID DDPD00727 ...
Drug Name Nitroglycerin
Molecular Weight 227.0865
Molecular Formula C3H5N3O9
CAS Number 55-63-0
SMILES [O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O
External Links
DRUGBANK DB00727
PubChem Compound 4510
PDR 1148
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 1.62 - 1.62 - http://www.inchem.org/documents/icsc/icsc/eics0186.htm
Boiling Point 160.0 ℃ 160 ℃ http://www.inchem.org/documents/icsc/icsc/eics0186.htm
Melting Point 13.5 ℃ 13.5 ℃ http://www.inchem.org/documents/icsc/icsc/eics0186.htm
pKa -5.6 - -5.6 - http://www.hmdb.ca/metabolites/HMDB0014865
Log S -3.0 - -3.0 - http://www.hmdb.ca/metabolites/HMDB0014865

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
Bioavailability 40.0 % 40 % sublingual; DRUGBANK
Bioavailability 1.0 % <1 % PO, oral; The Pharmacological Basis of Therapeutics
Bioavailability 38.0 % 38±26 % sublingual; The Pharmacological Basis of Therapeutics
Bioavailability 72.0 % 72±20 % skin/dermal; The Pharmacological Basis of Therapeutics
C Max 2.6 ng/ml 2.56 ng/ml sublingual; DRUGBANK
C Max 2.1 ng/ml 2.1 ng/ml sublingual; DRUGBANK
C Max 1.9 ng/ml 1.9±1.6 ng/ml sublingual; The Pharmacological Basis of Therapeutics
C Max 3.4 ng/ml 3.4±1.7 ng/ml intravenous injection, IV; The Pharmacological Basis of Therapeutics
T Max 0.0733 h 4.4 min sublingual; DRUGBANK
T Max 0.12 h 7.2 min sublingual; DRUGBANK
T Max 0.0900 h 0.09±0.03 h sublingual; The Pharmacological Basis of Therapeutics
T Max 3.5 h 3-4 h skin/dermal; The Pharmacological Basis of Therapeutics
T Max 2.0 h 2.0 h Transdermal preparations; The Pharmacological Basis of Therapeutics
Clearance 60.0 L/h/kg 1.0 L/kg/min intravenous injection, IV; DRUGBANK
Clearance 1314.0 L/h 21.9 L/min sublingual; heart disease; DRUGBANK
Clearance 11.7 L/h/kg 195±86 ml/min/kg intravenous injection, IV; normal,healthy; adults; The Pharmacological Basis of Therapeutics
Clearance 11.7 L/h/kg 194.3 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 3.6 L/kg 3.0 L/kg DRUGBANK
Volume of Distribution 3.3 L/kg 3.3±1.2 L/kg Apparent volume of distribution; intravenous injection, IV; normal,healthy; adults; The Pharmacological Basis of Therapeutics
Half-life 0.0467 h 2.8±0.9 min elimination half-life; intravenous injection, IV; DRUGBANK
Half-life 0.10 h ~6 min elimination half-life; Intraperitoneal, IP; DRUGBANK
Half-life 0.48 h 32-26 min elimination half-life; DRUGBANK
Half-life 0.0383 h 2.3±0.6 min The Pharmacological Basis of Therapeutics
Half-life 4.5 h 4.5 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 105.0 mg/kg 105.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity LD50 23.2 mg/kg 23.2 mg/kg intravenous injection, IV; Rattus, Rat; DRUGBANK
Eliminate Route 1.0 % <1 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 60.0 % ~60 % DRUGBANK

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for children 5.0 mcg/kg/min 5 mcg/kg/min Nitroglycerin in 5% Dextrose nitroglycerin PDR
Max dose for children 20.0 mcg/kg/min 20 mcg/kg/min intravenous injection, IV Nitroglycerin in 5% Dextrose nitroglycerin 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