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Showing drug card for Ajmaline (DB01426)

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Version 2.5
Creation Date 2007-07-24 12:27:26
Update Date 2009-02-19 16:04:20
Primary Accession Number DB01426
Secondary Accession Number Not Available
Name Ajmaline
Drug Type
  • Approved
  • Small Molecule
Description An alkaloid found in the root of Rauwolfia serpentina, among other plant sources. It is a class Ia antiarrhythmic agent that apparently acts by changing the shape and threshold of cardiac action potentials. [PubChem]
Synonyms
  1. Ajmalin
Brand Names Not Available
Brand Mixtures Not Available
Chemical IUPAC Name Not Available
Chemical Formula C20H26N2O2
Chemical Structure Structure
CAS Registry Number 4360-12-7
InChI Identifier InChI=1/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18-,19+,20+/m0/s1
InChI Key CJDRUOGAGYHKKD-NNAJWNLHBZ
KEGG Drug D00199 Link Image
KEGG Compound C06542 Link Image
PubChem Compound 441080 Link Image
PubChem Substance 7847267 Link Image
ChEBI ID 28462 Link Image
PharmGKB ID Not Available
HET ID Not Available
GenBank ID Not Available
Drug ID Number [DIN] Not Available
RxList Link Not Available
PDRhealth Link Not Available
Wikipedia Link http://en.wikipedia.org/wiki/Ajmaline Link Image
FDA Label Not Available
Material Safety Data Sheet (MSDS) Not Available
Synthesis Reference Not Available
Average Molecular Weight 326.4326
Monoisotopic Molecular Weight 326.1994
State Solid
Melting Point Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 4.09e+00 mg/mL Calculated using ALOGPS
Experimental LogP/Hydrophobicity 1.81 [HANSCH,C ET AL. (1995)] Source: PhysProp
Predicted LogP 1.72 Calculated using ALOGPS
Experimental LogS -2.82 [ADME Research, USCD]
Predicted LogS -1.90 Calculated using ALOGPS
Experimental Caco2 Permeability Not Available
pKa/Isoelectric Point Not Available
Mass Spectrum Not Available
MOL File Show Link Image | Download Link Image
SDF File Show Link Image | Download Link Image
PDB File Show Link Image | Download Link Image
2D Structure
3D Structure
Experimental PDB ID Not Available
Isomeric SMILES CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]44C[C@@H]([C@H]2[C@@H]4O)[N@]3[C@@H]1O
Canonical SMILES CCC1C2CC3C4N(C)C5=CC=CC=C5C44CC(C2C4O)N3C1O
Drug Category
  • Anti-Arrhythmia Agents
  • Antiarrhythmic Agents
ATC Codes
AHFS Codes Not Available
Indication Not Available
Pharmacology Not Available
Mechanism of Action Not Available
Absorption Not Available
Toxicity Not Available
Protein Binding Not Available
Biotransformation Not Available
Half Life Not Available
Dosage Forms Not Available
Patient Information Not Available
Contraindications Not Available
Interactions Not Available
Drug Interactions Not Available
Food Interactions Not Available
Pathways Not Available
General References
  1. Wikipedia Link Image
Organisms Affected
  • Humans and other mammals

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