Search summary:
Session ID: 0b583f0103e538de6bf289360898775b
Search Type: drug
Started at: 2009-12-09 09:35:22
Finished at: 2009-12-09 09:36:52
| Field | Result | Source |
|---|---|---|
| Name | ||
| Literature | PubChem | |
| Drugbank ID | ||
| Not Available | Not Applicable | |
| Description | ||
| Not Available | Not Applicable | |
| Chemical Kingdom | ||
| Organic | BioSpider | |
| Chemical Class | ||
| Not Available | Not Applicable | |
| Chemical Species | ||
| heterocyclic compound | Checkmol | |
| primary alcohol | Checkmol | |
| tertiary aliphatic amine (trialkylamine) | Checkmol | |
| tertiary amine | Checkmol | |
| Synonym | ||
| 1-Epilupinine | Pubchem | |
| 2H-Quinolizine-1-methanol, octahydro- | Pubchem | |
| 2H-Quinolizine-1-methanol, octahydro-, (1R-trans)- | Pubchem | |
| 2H-Quinolizine-1-methanol, octahydro-, (1S-cis)- | Pubchem | |
| Lupinine | Pubchem | |
| Octahydro-2H-quinolizin-1-ylmethanol | Pubchem | |
| UPCMLD-DP047 | Pubchem | |
| UPCMLD-DP047:001 | Pubchem | |
| Brand Mixture | ||
| Not Available | Not Applicable | |
| CAS | ||
| 10159-79-2 | External | |
| InChI Identifier | ||
InChI=1/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2 |
World Wide Molecular Matrix | |
| IUPAC | ||
| 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanol | PubChem | |
| Chemical Formula | ||
| C10H19NO | PubChem | |
| Chemical Structure | ||
 |
PubChem | |
| Average Molecular Weight (g/mol) | ||
| 169.263960 | BioSpider | |
| Monoisotopic Molecular Weight (g/mol) | ||
| 169.146660 | BioSpider | |
| SMILES (Isomeric) | ||
OCC1C2N(CCC1)CCCC2 |
ChemSpider | |
| SMILES (Canonical) | ||
C1CCN2CCCC(C2C1)CO |
PubChem | |
| Kegg Drug | ||
| Not Available | Not Applicable | |
| Kegg Compound | ||
| Not Available | Not Applicable | |
| Pubchem Compound ID | ||
| 297272 | PubChem | |
| Pubchem Substance ID | ||
| 10326355 | Pubchem | |
| 10364617 | Pubchem | |
| 10421507 | Pubchem | |
| 11336409 | Pubchem | |
| 11380753 | Pubchem | |
| 11511768 | Pubchem | |
| 11536889 | Pubchem | |
| 22391456 | Pubchem | |
| 26531060 | Pubchem | |
| 26749331 | Pubchem | |
| 26753753 | Pubchem | |
| 3159972 | Pubchem | |
| 34837084 | Pubchem | |
| 441474 | Pubchem | |
| 46487983 | Pubchem | |
| 50107573 | Pubchem | |
| 50371506 | Pubchem | |
| 5095010 | Pubchem | |
| 84940047 | Pubchem | |
| 8876182 | 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 | ||
| 53.2 mg/mL [Predicted by ALOGPS] | Alogps | |
| Experimental LogP | ||
| Not Available | Not Applicable | |
| Predicted LogP | ||
| 1.54 [Predicted by ALOGPS] | Alogps | |
| pKa | ||
| Not Available | Not Applicable | |
| SDF File | ||
| 1260376536.sdf | Pubchem | |
| Mol File | ||
| 1260376525.mol | Molconvert | |
| Pdb File | ||
| 1260376551.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 |