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 |
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| 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 |
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| Brand Names | Not Available |
| Brand Mixtures | Not Available |
| Chemical IUPAC Name | Not Available |
| Chemical Formula | C20H26N2O2 |
| Chemical 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  |
| KEGG Compound | C06542 |
| PubChem Compound | 441080 |
| PubChem Substance | 7847267 |
| ChEBI ID | 28462 |
| 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 |
| 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 | Download |
| SDF File | Show | Download |
| PDB File | Show | Download |
| 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 |
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| 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 | |
| Organisms Affected |
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