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

Basic Information

Drug ID DDPD00627 ...
Drug Name Niacin
Molecular Weight 123.1094
Molecular Formula C6H5NO2
CAS Number 59-67-6
SMILES OC(=O)C1=CN=CC=C1
External Links
DRUGBANK DB00627
T3DB T3D2841
PubChem Compound 938
PDR 20
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 0.147 - 0.147 - http://www.chemspider.com/Chemical-Structure.913.html?rid=9af4dd1d-a79e-4e6d-ab2a-9fe7ca6a3248
Boiling Point 292.4 ℃ 292.4 ℃ http://www.chemspider.com/Chemical-Structure.913.html?rid=9af4dd1d-a79e-4e6d-ab2a-9fe7ca6a3248
Melting Point 237.5 ℃ 236-239 ℃ http://www.chemspider.com/Chemical-Structure.913.html?rid=9af4dd1d-a79e-4e6d-ab2a-9fe7ca6a3248
Water Solubility 18000.0 mg/L 18000 mg/L YALKOWSKY,SH & DANNENFELSER,RM 1992)
pKa 4.75 - 4.75 - DEAN,JA (1985)
Log S -0.84 - -0.84 - ADME Research, USCD

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
AUC 1440.0 ng.h/ml 1.44 ug.h/ml PO, oral; RD, renal impairment, Renal disease，including uremia; DRUGBANK
AUC 6660.0 ng.h/ml 6.66 ug.h/ml PO, oral; RD, renal impairment, Renal disease，including uremia; DRUGBANK
AUC 12410.0 ng.h/ml 12.41 ug.h/ml PO, oral; RD, renal impairment, Renal disease，including uremia; DRUGBANK
C Max 60.0 ng/ml 0.06 ug/ml PO, oral; RD, renal impairment, Renal disease，including uremia; DRUGBANK
C Max 2420.0 ng/ml 2.42 ug/ml PO, oral; RD, renal impairment, Renal disease，including uremia; DRUGBANK
C Max 4220.0 ng/ml 4.22 ug/ml PO, oral; RD, renal impairment, Renal disease，including uremia; DRUGBANK
C Max 600.0 ng/ml 0.6 mcg/ml PO, oral; extended release formulation; The Pharmacological Basis of Therapeutics
C Max 15500.0 ng/ml 15.5 mcg/ml PO, oral; extended release formulation; The Pharmacological Basis of Therapeutics
T Max 3.0 h 3 h PO, oral; RD, renal impairment, Renal disease，including uremia; DRUGBANK
T Max 3.0 h 3 h PO, oral; RD, renal impairment, Renal disease，including uremia; DRUGBANK
T Max 4.5 h 4-5 h PO, oral; extended release formulation; The Pharmacological Basis of Therapeutics
Clearance 0.88 L/h/kg 14.6±5.0 ml/min/kg The Pharmacological Basis of Therapeutics
Half-life 0.90 h 0.9 h DRUGBANK
Half-life 1.3 h 1.3 h DRUGBANK
Half-life 4.3 h 4.3 h DRUGBANK
Half-life 0.20 h ~0.15-0.25 h intravenous infusion, IV in drop; The Pharmacological Basis of Therapeutics
Toxicity LD50 3720.0 mg/kg 3720.0 mg/kg PO, oral; mouse; DRUGBANK
Toxicity LD50 4550.0 mg/kg 4550.0 mg/kg PO, oral; rabbit; DRUGBANK
Toxicity LD50 7000.0 mg/kg 7000.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity LD50 2000.0 mg/kg 2000.0 mg/kg skin/dermal; Rattus, Rat; DRUGBANK
Toxicity LD50 7000.0 mg/kg 7000.0 mg/kg PO, oral; Rattus, Rat; T3DB
Toxicity LD50 730.0 mg/kg 730.0 mg/kg Intraperitoneal, IP; Rattus, Rat; T3DB
Toxicity LD50 3500.0 mg/kg 3500.0 mg/kg subcutaneous injection, SC; mouse; T3DB
Eliminate Route 12.0 % 12 % Urinary excretion; Oral multiple dose; Unchanged drug; The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for infants 3.0 g/day 3 g/day PO, oral Niaspan niacin PDR
Max dose for infants 1.5 g/day 1.5 g/day PO, oral Niaspan niacin PDR
Max dose for children 3000.0 mg/day 3 g/day PO, oral Niaspan niacin PDR
Max dose for children 1500.0 mg/day 1.5 g/day PO, oral Niaspan niacin PDR
Max dose for adolescents 6000.0 mg/day 6 g/day PO, oral Niaspan niacin PDR
Max dose for adolescents 2000.0 mg/day 2 g/day PO, oral Niaspan niacin PDR
Max dose for geriatric 6000.0 mg/day 6 g/day PO, oral Niaspan niacin PDR
Max dose for geriatric 2000.0 mg/day 2 g/day PO, oral Niaspan niacin 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