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

Basic Information

Drug ID DDPD13345 ...
Drug Name Dihydroergocristine
Molecular Weight 611.743
Molecular Formula C35H41N5O5
CAS Number 17479-19-5
SMILES [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
External Links
DRUGBANK DB13345
PDR 735

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 5.86 - 5.86 - Buckingham J. et al. Dictionary of Alkaloids.
Boiling Point 899.3 ℃ 899.3 ℃ Product specifications
Melting Point 214.0 ℃ 213-215 ℃ 'MSDS'
Water Solubility 10000.0 mg/L 10 mg/ml 'MSDS'
pKa 6.9 - 6.9 - Lemke T. and Williams D. Foye's Principles of Medicinal Chemistry.

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
Absorption 25.0 % 25 % PO, oral; DRUGBANK
AUC 0.39 ng.h/ml 0.39 mcg.h/L PO, oral; DRUGBANK
C Max 0.28 ng/ml 0.28 mcg/L PO, oral; DRUGBANK
T Max 0.46 h 0.46±0.17 h PO, oral; DRUGBANK
Clearance 2.7 L/h/kg 2.65 L/h/kg Total clearance; DRUGBANK
Volume of Distribution 52.0 L/kg 52.0 L/kg DRUGBANK
Half-life 3.5 h 3.5 h elimination half-life; DRUGBANK
Half-life 13.0 h 13 h terminal half-life; DRUGBANK
Eliminate Route 85.0 % >85 % Bile excretion; DRUGBANK
Eliminate Route 5.0 % 5 % Urinary excretion; DRUGBANK
Protein Binding 68.0 % 68 % plasma proteins; DRUGBANK

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for adults 3.0 mg/day 3 mg/day PO, oral Ergoloid Mesylates ergoloid mesylates PDR
Max dose for adults 9.0 mg/day 9 mg/day PO, oral Ergoloid Mesylates ergoloid mesylates PDR
Max dose for geriatric 3.0 mg/day 3 mg/day PO, oral Ergoloid Mesylates ergoloid mesylates PDR
Max dose for geriatric 9.0 mg/day 9 mg/day PO, oral Ergoloid Mesylates ergoloid mesylates 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