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Revision as of 11:14, 17 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 448836587 of page Epsilon-Viniferin for the Chem/Drugbox validation project (updated: 'ChEMBL', '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 = 448834734 | verifiedrevid = 477001424
| 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
| Name = ε-Viniferin
| image = L-Ascorbic_acid.svg
| Reference = <!-- <ref></ref> -->
⚫ | width = 200px
| ImageFile = Epsilon-viniferin.svg
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
⚫ | ImageSize = 200px
| width2 = 200px
| IUPACName = 5--2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

| OtherNames = Viniferin; ''epsilon''-Viniferin; (-)-''epsilon''-Viniferin
<!--Clinical data-->
|Section1= {{Chembox Identifiers
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| CASNo = <!-- blanked - oldvalue: 62218-08-0 -->
| licence_EU = <!-- EMEA requires brand name -->
⚫ | ChEMBL = 1224875
| licence_US = <!-- FDA may use generic name -->
⚫ | PubChem = 5281728
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| SMILES = C1=CC(=CC=C1C=CC2=CC(=CC3=C2C(C(O3)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O)O
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| pregnancy_category = A
⚫ | ChemSpiderID = 4445043
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| InChI = 1/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| InChIKey = FQWLMRXWKZGLFI-YVYUXZJTBS
| 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 -->
| StdInChI = 1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
| legal_status = general public availability
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| routes_of_administration = oral
⚫ | StdInChIKey = FQWLMRXWKZGLFI-YVYUXZJTSA-N

}}
<!--Pharmacokinetic data-->
|Section2= {{Chembox Properties
| bioavailability = rapid & complete
⚫ | C=28|H=22|O=6
| protein_bound = negligible
| ExactMass = 454.141638 u
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
| Appearance =
| Density = | excretion = renal

| MeltingPt =
<!--Identifiers-->
| BoilingPt =
| CASNo_Ref = {{cascite|correct|CAS}}
| Solubility =
| CAS_number_Ref = {{cascite|correct|??}}
}}
| CAS_number = 50-81-7
|Section3= {{Chembox Hazards
| MainHazards = | ATC_prefix = A
| FlashPt = | ATC_suffix = 11G
| ChEBI_Ref = {{ebicite|correct|EBI}}
| Autoignition =
| 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)
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