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Revision as of 13:45, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 456495290 of page Scarlet_GN for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'StdInChI', 'StdInChIKey', '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
| Verifiedfields = 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 = 456489563
| ImageFile = Scarlet_GN.svg | image = L-Ascorbic_acid.svg
| width = 200px
| ImageFile_Ref = {{chemboximage|correct|??}}
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| ImageName = Kekulé, canonical skeletal formula of scarlet GN ((6E)-6-hydrazinylidene)
| width2 = 200px
| PIN = Disodium 3--4-oxonaphthalene-1-sulfonate{{Citation needed|date = September 2011}}

| OtherNames = Crimson 4R{{Citation needed|date = September 2011}}<br />
<!--Clinical data-->
C.I. Food Red 1{{Citation needed|date = September 2011}}<br />
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
Food red 1{{Citation needed|date = September 2011}}<br />
| licence_EU = <!-- EMEA requires brand name -->
FD & C Red no. 4{{Citation needed|date = September 2011}}<br />
| licence_US = <!-- FDA may use generic name -->
Hexacol Ponceau SX{{Citation needed|date = September 2011}}<br />
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
Maple Ponceau SX{{Citation needed|date = September 2011}}<br />
| pregnancy_US = <!-- A / B / C / D / X -->
Ponceau SX Lake 4R purple{{Citation needed|date = September 2011}}<br />
| pregnancy_category = A
Purple 4R{{Citation needed|date = September 2011}}
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| Section1 = {{Chembox Identifiers
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| CASNo_Ref = {{cascite|changed|??}}
| CASNo = <!-- blanked - oldvalue: 3257-28-1 --> | legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| CASNo_Comment = <small>(6''Z'')-6-hydrazinylidene</small>
| legal_status = general public availability
| PubChem = 6537642
| routes_of_administration = oral
| PubChem_Ref = {{Pubchemcite|correct|Pubchem}}

| PubChem_Comment = <small>(6''Z'')-6-hydrazinylidene</small>
<!--Pharmacokinetic data-->
| PubChem1 = 5483118
| bioavailability = rapid & complete
| PubChem1_Ref = {{Pubchemcite|correct|Pubchem}}
| protein_bound = negligible
| PubChem1_Comment = <small>(6''E'')-6-hydrazinylidene</small>
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
| ChemSpiderID = 21106479
| excretion = renal
| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}

| ChemSpiderID_Comment = <small>(6''Z'')-6-hydrazinylidene</small>
<!--Identifiers-->
| EINECS = 221-856-3
| CASNo_Ref = {{cascite|correct|CAS}}
| SMILES = Cc1cc(C)c(NN=c2ccc3c(cccc3c2=O)S(=O)(=O)O)c(c1)S(=O)(=O)O
| CAS_number_Ref = {{cascite|correct|??}}
| SMILES1 = CC1=CC(=C(NN=C2C=CC3=C(C=CC=C3C2=O)S(=O)(=O)O)C(C)=C1)S(=O)(=O)O
| CAS_number = 50-81-7
| StdInChI = 1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,15H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;
| ATC_prefix = A
| StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| ATC_suffix = 11G
| StdInChIKey = BLTDGHUKBPVCPH-LLIZZRELSA-L
| ChEBI_Ref = {{ebicite|correct|EBI}}
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
| ChEBI = 29073
}}
| PubChem = 5785
| Section2 = {{Chembox Properties
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| Formula = {{Chem|Na|2|C|18|H|14|N|2|S|2|O|7}}
| DrugBank = DB00126
| MolarMass = 480.422 g mol<sup>-1</sup>
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ExactMass = 480.003781542 g mol<sup>-1</sup>
| 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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