Search summary:
Session ID: a4767d96273f0bbe3921b096ba00a083
Search Type: drug
Started at: 2009-12-09 08:45:03
Finished at: 2009-12-09 08:45:44
| Field | Result | Source |
|---|---|---|
| Name | ||
| Not Available | Not Applicable | |
| Drugbank ID | ||
| Not Available | Not Applicable | |
| Description | ||
| Not Available | Not Applicable | |
| Chemical Kingdom | ||
| Organic | BioSpider | |
| Chemical Class | ||
| Not Available | Not Applicable | |
| Chemical Species | ||
| anion | Checkmol | |
| aromatic compound | Checkmol | |
| dialkyl ether | Checkmol | |
| heterocyclic compound | Checkmol | |
| primary aliphatic amine (alkylamine) | Checkmol | |
| primary amine | Checkmol | |
| primary aromatic amine | Checkmol | |
| Synonym | ||
| Not Available | Not Applicable | |
| Brand Mixture | ||
| Not Available | Not Applicable | |
| CAS | ||
| 5429-57-2 | External | |
| InChI Identifier | ||
InChI=1/C9H15N3O/c1-6-9(11)8(5-13-2)7(3-10)4-12-6/h4H,3,5,10-11H2 ,1-2H3 |
World Wide Molecular Matrix | |
| IUPAC | ||
| 5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-3-amine chloride | PubChem | |
| Chemical Formula | ||
| C9H15ClN3O- | PubChem | |
| Chemical Structure | ||
 |
PubChem | |
| Average Molecular Weight (g/mol) | ||
| 216.687900 | PubChem | |
| Monoisotopic Molecular Weight (g/mol) | ||
| Not Available | Not Applicable | |
| SMILES (Isomeric) | ||
O(Cc1c(cnc(c1N)C)CN)C |
ChemSpider | |
| SMILES (Canonical) | ||
CC1=NC=C(C(=C1N)COC)CN.[Cl-] |
PubChem | |
| Kegg Drug | ||
| Not Available | Not Applicable | |
| Kegg Compound | ||
| Not Available | Not Applicable | |
| Pubchem Compound ID | ||
| 24182165 | PubChem | |
| Pubchem Substance ID | ||
| 540702 | Pubchem | |
| OMIM ID | ||
| Not Available | Not Applicable | |
| ChEBI | ||
| Not Available | Not Applicable | |
| BioCyc | ||
| Not Available | Not Applicable | |
| PharmGKB | ||
| Not Available | Not Applicable | |
| HET ID | ||
| Not Available | Not Applicable | |
| DPD ID | ||
| Not Available | Not Applicable | |
| Rxlist Link | ||
| Not Available | Not Applicable | |
| Wikipedia | ||
| Not Available | Not Applicable | |
| Pdr Health Link | ||
| Not Available | Not Applicable | |
| Melting Point | ||
| Not Available | Not Applicable | |
| State | ||
| Not Available | Not Applicable | |
| MSDS Link | ||
| Not Available | Not Applicable | |
| FDA Label | ||
| Not Available | Not Applicable | |
| Experimental Water Solubility | ||
| Not Available | Not Applicable | |
| Predicted Water Solubility | ||
| 14.7 mg/mL [Predicted by ALOGPS] | Alogps | |
| Experimental LogP | ||
| Not Available | Not Applicable | |
| Predicted LogP | ||
| -0.61 [Predicted by ALOGPS] | Alogps | |
| pKa | ||
| Not Available | Not Applicable | |
| SDF File | ||
| 1260373518.sdf | Pubchem | |
| Mol File | ||
| 1260373505.mol | Molconvert | |
| Pdb File | ||
| 1260373526.pdb | Molconvert | |
| Mass Spec File | ||
| Not Available | Not Applicable | |
| Associated Disorder | ||
| Not Available | Not Applicable | |
| Pathway | ||
| Not Available | Not Applicable | |
| Category | ||
| Not Available | Not Applicable | |
| ATC Code | ||
| Not Available | Not Applicable | |
| AHFS Code | ||
| Not Available | Not Applicable | |
| Schedule | ||
| Not Available | Not Applicable | |
| Indication | ||
| Not Available | Not Applicable | |
| Pharmacology | ||
| Not Available | Not Applicable | |
| Mechanism Of Action | ||
| Not Available | Not Applicable | |
| Absorption | ||
| Not Available | Not Applicable | |
| Protein Binding | ||
| Not Available | Not Applicable | |
| Half Life | ||
| Not Available | Not Applicable | |
| Biotransformation | ||
| Not Available | Not Applicable | |
| Toxicity | ||
| Not Available | Not Applicable | |
| Dosage | ||
| Not Available | Not Applicable | |
| Patient Information | ||
| Not Available | Not Applicable | |
| Interactions | ||
| Not Available | Not Applicable | |
| Contraindications | ||
| Not Available | Not Applicable | |
| Targets | ||
| Not Available | Not Applicable |