Search summary:
Session ID: a5da06f4ff751f8f9e18198472867fac
Search Type: drug
Started at: 2009-12-09 09:38:56
Finished at: 2009-12-09 09:40:31
| 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 | ||
| aromatic compound | Checkmol | |
| carboxylic acid imide, N-unsubstituted | Checkmol | |
| heterocyclic compound | Checkmol | |
| Synonym | ||
| 1,2,3,4-Tetrahydro-1,3-dioxoisoquinoline | Pubchem | |
| 1,3(2H, 4H)-Isoquinolinedione | NCI | |
| 1,3(2H,4H)-Isoquinolinedione | Pubchem | |
| 1,3(2H,4H)-isoquinolinedione (ACD/Name 4.0) | NCI | |
| Homophthalimide | Pubchem | |
| Brand Mixture | ||
| Not Available | Not Applicable | |
| CAS | ||
| 4456-77-3 | External | |
| InChI Identifier | ||
InChI=1/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,1 1,12) |
World Wide Molecular Matrix | |
| IUPAC | ||
| 4H-isoquinoline-1,3-dione | PubChem | |
| Chemical Formula | ||
| C9H7NO2 | PubChem | |
| Chemical Structure | ||
 |
PubChem | |
| Average Molecular Weight (g/mol) | ||
| 161.157380 | BioSpider | |
| Monoisotopic Molecular Weight (g/mol) | ||
| 161.047680 | BioSpider | |
| SMILES (Isomeric) | ||
O=C2c1c(cccc1)CC(=O)N2 |
ChemSpider | |
| SMILES (Canonical) | ||
C1C2=CC=CC=C2C(=O)NC1=O |
PubChem | |
| Kegg Drug | ||
| Not Available | Not Applicable | |
| Kegg Compound | ||
| Not Available | Not Applicable | |
| Pubchem Compound ID | ||
| 349435 | PubChem | |
| Pubchem Substance ID | ||
| 10393863 | Pubchem | |
| 12077073 | Pubchem | |
| 15016893 | Pubchem | |
| 25026201 | Pubchem | |
| 3223138 | Pubchem | |
| 38230086 | Pubchem | |
| 41496336 | Pubchem | |
| 478667 | Pubchem | |
| 5113837 | Pubchem | |
| 51300758 | Pubchem | |
| 57401875 | Pubchem | |
| 8906653 | 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 | ||
| 1.59 mg/mL [Predicted by ALOGPS] | Alogps | |
| Experimental LogP | ||
| Not Available | Not Applicable | |
| Predicted LogP | ||
| 0.98 [Predicted by ALOGPS] | Alogps | |
| pKa | ||
| Not Available | Not Applicable | |
| SDF File | ||
| 1260376749.sdf | Pubchem | |
| Mol File | ||
| 1260376740.mol | Molconvert | |
| Pdb File | ||
| 1260376767.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 |