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Revision as of 19:59, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,056 edits Saving copy of the {{chembox}} taken from revid 457803667 of page Acibenzolar-S-methyl for the Chem/Drugbox validation project (updated: 'ChEBI', 'CASNo').← Previous edit Revision as of 19:59, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,056 edits Saving copy of the {{drugbox}} taken from revid 473541861 of page Aciclovir for the Chem/Drugbox validation project (updated: 'DrugBank').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{Drugbox
| Verifiedfields = changed | Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 457802477 | verifiedrevid = 457802576
| Name = Acibenzolar-''S''-methyl
| IUPAC_name = 2-Amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-6''H''-Purin-6-one
| Reference = <ref name="EPA"></ref>
| image = Aciclovir standard.svg
| ImageFile = acibenzolar-S-methyl.png
| image2 = Acyclovir 3D.png
⚫ | ImageFile_Ref = {{chemboximage|correct|??}}

| ImageSize = 121
<!--Clinical data-->
| ImageName = Skeletal formula of acibenzolar-S-methyl
| tradename =
| IUPACName = ''S''-Methyl 1,2,3-benzothiadiazole-7-carbothioate{{Citation needed|date = July 2011}}
| Drugs.com = {{drugs.com|monograph|acyclovir}}
| SystematicName = 1,2,3-Benzothiadiazol-7-yl(methylsulfanyl)methanone{{Citation needed|date = July 2011}}
| MedlinePlus = a681045
| Section1 = {{Chembox Identifiers
| pregnancy_category = B3 <small>(])</small>, B <small>(U.S.)</small>
⚫ | CASNo_Ref = {{cascite|changed|??}}
| legal_US = Rx-only
| CASNo = <!-- blanked - oldvalue: 135158-54-2 -->
| legal_status = unscheduled/S4 <small>(Au)</small>, POM <small>(UK)</small>
⚫ | PubChem = 86412
| routes_of_administration = ], oral, topical
| PubChem_Ref = {{Pubchemcite|correct|pubchem}}

⚫ | ChemSpiderID = 77928
<!--Pharmacokinetic data-->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| bioavailability = 10–20% (oral)
| EINECS = 420-050-0
| protein_bound = 9–33%
| MeSHName = S-methyl+benzo(1,2,3)thiadiazole-7-carbothioate
| metabolism = Viral thymidine kinase
⚫ | ChEMBL = 425055
| elimination_half-life = 2.2–20 hours
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| excretion = ]
⚫ | ChEBI_Ref = {{ebicite|changed|EBI}}

| ChEBI = <!-- blanked - oldvalue: 447123 -->
<!--Identifiers-->
| SMILES = CSC(=O)c1cccc2nnsc12
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| SMILES1 = CSC(=O)C1=C2SN=NC2=CC=C1
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| StdInChI = 1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
| CAS_number = 59277-89-3
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| ATC_prefix = J05
| InChI = 1/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
| ATC_suffix = AB01
⚫ | StdInChIKey = UELITFHSCLAHKR-UHFFFAOYSA-N
| ATC_supplemental = {{ATC|D06|BB03}} {{ATC|S01|AD03}}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | PubChem = 2022
| InChIKey = UELITFHSCLAHKR-UHFFFAOYAA
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
}}
| DrugBank = DB00787
| Section2 = {{Chembox Properties
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | C=8|N=2|H=6|S=2|O=1
⚫ | ChemSpiderID = 1945
| ExactMass = 209.992154204 g mol<sup>-1</sup>
| UNII_Ref = {{fdacite|correct|FDA}}
| Appearance = Pale, light orange, opaque crystals
| UNII = X4HES1O11F
| MeltingPtC = 133
| KEGG_Ref = {{keggcite|correct|kegg}}
| Solubility = 7.7 mg dm<sup>-3</sup>
| LogP = 2.741 | KEGG = D00222
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
}}
| ChEBI = 2453
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | ChEMBL = 184

<!--Chemical data-->
⚫ | C=8 | H=11 | N=5 | O=3
| molecular_weight = 225.21 g/mol
| smiles = O=C2/N=C(\Nc1n(cnc12)COCCO)N
| InChI = 1/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
| InChIKey = MKUXAQIIEYXACX-UHFFFAOYAG
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = MKUXAQIIEYXACX-UHFFFAOYSA-N
| synonyms = acycloguanosine
| melting_point = 256.5
}} }}

Revision as of 19:59, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 473541861 of page Aciclovir with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other namesacycloguanosine
AHFS/Drugs.comMonograph
MedlinePlusa681045
Pregnancy
category
  • B3 (Au), B (U.S.)
Routes of
administration		Intravenous, oral, topical
ATC code
Legal status
Legal status
  • US: ℞-only
  • unscheduled/S4 (Au), POM (UK)
Pharmacokinetic data
Bioavailability10–20% (oral)
Protein binding9–33%
MetabolismViral thymidine kinase
Elimination half-life2.2–20 hours
ExcretionRenal
Identifiers
IUPAC name
  • 2-Amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-6H-Purin-6-one
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC8H11N5O3
Molar mass225.21 g/mol g·mol
3D model (JSmol)
Melting point256.5 °C (493.7 °F)
SMILES
  • O=C2/N=C(\Nc1n(cnc12)COCCO)N
InChI
  • InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
  • Key:MKUXAQIIEYXACX-UHFFFAOYSA-N
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