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Revision as of 16:26, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 442490963 of page 1,4-Benzodioxine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Latest revision as of 14:25, 29 January 2022 edit undo119.246.116.98 (talk)No edit summary 
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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
⚫ | verifiedrevid = 477001424
| Watchedfields = changed
| IUPAC_name = 2-Oxo-<small>L</small>-threo-hexono-1,4-lactone-2,3-enediol<br />''or''<br />(''R'')-3,4-dihydroxy-5-((''S'')- 1,2-dihydroxyethyl)furan-2(5''H'')-one
⚫ | verifiedrevid = 414707259
| ImageFile = 1,4-Benzodioxine.svg | image = L-Ascorbic_acid.svg
| width = 200px
⚫ | ImageFile_Ref = {{chemboximage|correct|??}}
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| ImageSize = 121
| width2 = 200px
| ImageName = Kekulé, skeletal formula of 1,4-benzodioxine

| SystematicName = 1,4-Benzodioxine<ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=136071&loc=ec_rcs|title = 1,4-Benzodioxin - PubChem Public Chemical Database|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|at = Descriptors Computed from Structure}}</ref>
<!--Clinical data-->
| Section1 = {{Chembox Identifiers
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| CASNo = <!-- blanked - oldvalue: 255-37-8 -->
| licence_EU = <!-- EMEA requires brand name -->
⚫ | PubChem = 136071
| licence_US = <!-- FDA may use generic name -->
| PubChem_Ref = {{Pubchemcite|correct|pubchem}}
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | ChemSpiderID = 119848
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| pregnancy_category = A
| SMILES = O1C=COc2ccccc12
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| SMILES1 = O1C=COC2=CC=CC=C12
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| StdInChI = 1S/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| InChI = 1/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
| legal_status = general public availability
⚫ | StdInChIKey = HPARLNRMYDSBNO-UHFFFAOYSA-N
| routes_of_administration = oral
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}

| InChIKey = HPARLNRMYDSBNO-UHFFFAOYAC
<!--Pharmacokinetic data-->
}}
| bioavailability = rapid & complete
| Section2 = {{Chembox Properties
| protein_bound = negligible
| C = 8
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
⚫ | H = 6
| O = 2 | excretion = renal

| ExactMass = 134.036779436 g mol<sup>-1</sup>
<!--Identifiers-->
| Density = 1.201 g cm<sup>-3</sup>
| CASNo_Ref = {{cascite|correct|CAS}}
| BoilingPtK = 466
⚫ | CAS_number_Ref = {{cascite|correct|??}}
⚫ | LogP = 1.00
| CAS_number = 50-81-7
| VaporPressure = 183 Pa
| ATC_prefix = A
}}
| ATC_suffix = 11G
| Section3 = {{Chembox Hazards
| ChEBI_Ref = {{ebicite|correct|EBI}}
| FlashPt = 63
| ChEBI = 29073
}}
⚫ | PubChem = 5785
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB00126
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 10189562
| NIAID_ChemDB = 002072
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = PQ6CK8PD0R
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D00018
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 196

<!--Chemical data-->
| chemical_formula =
⚫ | C=6 | H=7 | O=6
| molecular_weight = 176.12 g/]
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
| InChI = 1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| synonyms = <small>L</small>-ascorbic acid
⚫ | density = 1.694
| melting_point = 190
| boiling_point = 553
}} }}

Latest revision as of 14:25, 29 January 2022

This page contains a copy of the infobox ({{drugbox}}) taken from revid 477243833 of page Vitamin_C with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other namesL-ascorbic acid
AHFS/Drugs.comMultum Consumer Information
Pregnancy
category
  • A
Routes of
administration		oral
ATC code
Legal status
Legal status
  • general public availability
Pharmacokinetic data
Bioavailabilityrapid & complete
Protein bindingnegligible
Elimination half-lifevaries according to plasma concentration
Excretionrenal
Identifiers
IUPAC name
  • 2-Oxo-L-threo-hexono-1,4-lactone-2,3-enediol
    or
    (R)-3,4-dihydroxy-5-((S)- 1,2-dihydroxyethyl)furan-2(5H)-one
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
Chemical and physical data
FormulaC6H7O6
Molar mass176.12 g/mole g·mol
3D model (JSmol)
Density1.694 g/cm
Melting point190 °C (374 °F)
Boiling point553 °C (1,027 °F)
SMILES
  • C((1C(=C(C(=O)O1)O)O)O)O
InChI
  • InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
  • Key:CIWBSHSKHKDKBQ-JLAZNSOCSA-N
  (verify)