Search summary:
Session ID: fd59c247a06d207c63246e2e1988b655
Search Type: drug
Started at: 2009-12-09 07:41:44
Finished at: 2009-12-09 07:47:46
| 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 | ||
| aromatic compound | Checkmol | |
| aryl chloride | Checkmol | |
| heterocyclic compound | Checkmol | |
| lactam | Checkmol | |
| secondary carboxylic acid amide | Checkmol | |
| thioether | Checkmol | |
| Synonym | ||
| 7-chloro-2H-1,4-benzothiazin-3(4H)-one | Pubchem | |
| Brand Mixture | ||
| Not Available | Not Applicable | |
| CAS | ||
| 5333-05-1 | External | |
| InChI Identifier | ||
InChI=1/C8H6ClNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10 ,11) |
World Wide Molecular Matrix | |
| IUPAC | ||
| 7-chloro-4H-1,4-benzothiazin-3-one | PubChem | |
| Chemical Formula | ||
| C8H6ClNOS | PubChem | |
| Chemical Structure | ||
 |
PubChem | |
| Average Molecular Weight (g/mol) | ||
| 199.657340 | BioSpider | |
| Monoisotopic Molecular Weight (g/mol) | ||
| 198.985860 | BioSpider | |
| SMILES (Isomeric) | ||
Clc2ccc1c(SCC(=O)N1)c2 |
ChemSpider | |
| SMILES (Canonical) | ||
C1C(=O)NC2=C(S1)C=C(C=C2)Cl |
PubChem | |
| Kegg Drug | ||
| Not Available | Not Applicable | |
| Kegg Compound | ||
| Not Available | Not Applicable | |
| Pubchem Compound ID | ||
| 219374 | PubChem | |
| Pubchem Substance ID | ||
| 111014 | Pubchem | |
| 11447639 | Pubchem | |
| 16960773 | Pubchem | |
| 24349815 | Pubchem | |
| 30422719 | Pubchem | |
| 3140741 | Pubchem | |
| 4886527 | Pubchem | |
| 53091788 | Pubchem | |
| 67487 | Pubchem | |
| 83140527 | Pubchem | |
| 894781 | Pubchem | |
| 9374494 | 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 | ||
| 0.492 mg/mL [Predicted by ALOGPS] | Alogps | |
| Experimental LogP | ||
| Not Available | Not Applicable | |
| Predicted LogP | ||
| 2.33 [Predicted by ALOGPS] | Alogps | |
| pKa | ||
| Not Available | Not Applicable | |
| SDF File | ||
| 1260369722.sdf | Pubchem | |
| Mol File | ||
| 1260369710.mol | Molconvert | |
| Pdb File | ||
| 1260369774.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 |