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Revision as of 16:28, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 462636280 of page 1,4-Cyclohexadiene for the Chem/Drugbox validation project (updated: '').← 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 = 442961842
| image = L-Ascorbic_acid.svg
| ImageFile = 1-4-cyclohexadiene.png
| width = 200px
| ImageFile_Ref = {{chemboximage|correct|??}}
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| ImageName = Skeletal formula with all implicit hydrogen shown, skeletal formula; stereo, skeletal formula with all explicit hydrogens added, all of 1,4-cyclohexadiene
| width2 = 200px
| SystematicName = Cyclohexa-1,4-diene<ref>{{Cite web|title = 1,4-cyclohexadiene - Compound Summary|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12343&loc=ec_rcs|work = PubChem Compound|publisher = National Center for Biotechnology Information|accessdate = 12 October 2011|location = USA|date = 27 March 2005|at = Identification and Related Records}}</ref>

| OtherNames = 1,4-Cyclohexadiene{{Citation needed|date = October 2011}}<br />
<!--Clinical data-->
1,4-Dihydrobenzene{{Citation needed|date = October 2011}}<br />
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| Section1 = {{Chembox Identifiers
| licence_EU = <!-- EMEA requires brand name -->
| Abbreviations = 1,4-CHDN
| licence_US = <!-- FDA may use generic name -->
| CASNo = 628-41-1
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| CASNo_Ref = {{cascite|correct|CAS}}
| pregnancy_US = <!-- A / B / C / D / X -->
| PubChem = 12343
| pregnancy_category = A
| PubChem_Ref = {{Pubchemcite|correct|Pubchem}}
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| ChemSpiderID = 11838
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| EINECS = 211-043-1
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| UNNumber = 3295
| legal_status = general public availability
| MeSHName = 1,4-cyclohexadiene
| routes_of_administration = oral
| ChEBI = 37611

| ChEBI_Ref = {{ebicite|correct|EBI}}
<!--Pharmacokinetic data-->
| Beilstein = 1900733
| bioavailability = rapid & complete
| Gmelin = 1656
| protein_bound = negligible
| SMILES = C1C=CCC=C1
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
| StdInChI = 1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
| excretion = renal
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}

| InChI = 1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
<!--Identifiers-->
| StdInChIKey = UVJHQYIOXKWHFD-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| InChIKey = UVJHQYIOXKWHFD-UHFFFAOYAM
| CAS_number = 50-81-7
}}
| ATC_prefix = A
| Section2 = {{Chembox Properties
| C = 6 | ATC_suffix = 11G
| ChEBI_Ref = {{ebicite|correct|EBI}}
| H = 8
| ChEBI = 29073
| ExactMass = 80.062600256 g mol<sup>-1</sup>
| PubChem = 5785
| Appearance = Colorless liquid
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| Density = 847 mg cm<sup>-3</sup>
| MeltingPtK = 223 | DrugBank = DB00126
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| BoilingPtK = 355
| ChemSpiderID = 10189562
| RefractIndex = 1.472
| NIAID_ChemDB = 002072
}}
| UNII_Ref = {{fdacite|correct|FDA}}
| Section3 = {{Chembox Thermochemistry
| UNII = PQ6CK8PD0R
| DeltaHf = 63.0-69.2 kJ mol<sup>-1</sup>
| KEGG_Ref = {{keggcite|correct|kegg}}
| DeltaHc = -3573.5--3567.5 kJ mol<sup>-1</sup>
| KEGG = D00018
| Entropy = 189.37 J K<sup>-1</sup> mol<sup>-1</sup>
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| HeatCapacity = 142.2 J K<sup>-1</sup> mol<sup>-1</sup>
| ChEMBL = 196
}}

| Section4 = {{Chembox Hazards
<!--Chemical data-->
| GHSPictograms = {{GHS flame}} {{GHS health hazard}}
| chemical_formula =
| GHSSignalWord = '''DANGER'''
| C=6 | H=7 | O=6
| HPhrases = {{H-phrases|225|340|350|373}}
| molecular_weight = 176.12 g/]
| PPhrases = {{P-phrases|201|210|308+313}}
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
| EUClass = {{Hazchem F}} {{Hazchem T}}
| 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
| RPhrases = {{R45}} {{R46}} {{R11}} {{R48/20/21/22}}
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| SPhrases = {{S53}} {{S45}}
| 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
| NFPA-F = 3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| NFPA-H = 2
| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| NFPA-R = 0
| synonyms = <small>L</small>-ascorbic acid
| FlashPt = -7 °C
| 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)