Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 13:00, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,071 edits Saving copy of the {{chembox}} taken from revid 465715899 of page Thiirane for the Chem/Drugbox validation project (updated: 'KEGG').← 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
	\| Watchedfields = changed
			\| image = L-Ascorbic_acid.svg
	\| verifiedrevid = 433987901
			\| width = 200px
	\| ImageFile2 = Ethylene-sulfide-3D-balls.png
			\| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
	\| ImageFile2_Ref = {{chemboximage\|correct\|??}}
	\| ~~ImageSize2~~ = ~~121~~		\| width2 = 200px

	\| ImageName2 = Ball and model of thiirane
			<!--Clinical data-->
	\| ImageFileL1 = Ethylene-sulfide-2D-skeletal.png
	\| ~~ImageFileL1_Ref~~ = {{~~chemboximage~~\|~~correct~~\|??}}		\| Drugs.com = {{drugs.com\|MTM\|vitamin_c}}
			\| licence_EU = <!-- EMEA requires brand name -->
	\| ImageSizeL1 = 121
			\| licence_US = <!-- FDA may use generic name -->
	\| ImageNameL1 = Skeletal formula of thiirane
			\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| ImageFileR1 = Ethylene-sulfide-3D-vdW.png
			\| pregnancy_US = <!-- A / B / C / D / X -->
	\| ImageFileR1_Ref = {{chemboximage\|correct\|??}}
			\| pregnancy_category = A
	\| ImageSizeR1 = 121
			\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
	\| ImageNameR1 = Spacefill model of thiirane
			\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
	\| SystematicName = Thiirane<ref name = "thiirane (CHEBI:30977)" >{{Cite web\|url = http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30977\|title = thiirane (CHEBI:30977)\|work = Chemical Entities of Biological Interest (ChEBI)\|location = UK\|publisher = European Bioinformatics Institute}}</ref>
			\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
	\| OtherNames = 2,3-Dihydrothiirene<ref name = "thiirane (CHEBI:30977)" /><br />
			\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
	Ethylene sulfide<ref name = "thiirane (CHEBI:30977)" /><br />
			\| legal_status = general public availability
	Thiacyclopropane<ref name = "thiirane (CHEBI:30977)" />
			\| routes_of_administration = oral
	\| Section1 = {{Chembox Identifiers

	\| CASNo = 420-12-2
			<!--Pharmacokinetic data-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| bioavailability = rapid & complete
	\| PubChem = 9865
			\| protein_bound = negligible
	\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
			\| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
	\| ChemSpiderID = 9481
			\| excretion = renal
	\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}

	\| EINECS = 206-993-9
			<!--Identifiers-->
	\| UNNumber = 1992
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| KEGG = <!-- blanked - oldvalue: C19419 -->
	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}		\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| CAS_number = 50-81-7
	\| MeSHName = ethylene+sulfide
			\| ATC_prefix = A
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| ~~ChEBI~~ = ~~30977~~		\| ATC_suffix = 11G
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| RTECS = KX3500000
	\| ~~Beilstein~~ = ~~102379~~		\| ChEBI = 29073
	\| ~~Gmelin~~ = ~~1278~~		\| PubChem = 5785
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| SMILES = C1CS1
			\| DrugBank = DB00126
	\| StdInChI = 1S/C2H4S/c1-2-3-1/h1-2H2
	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|~~changed~~\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 10189562
	\| StdInChIKey = VOVUARRWDCVURC-UHFFFAOYSA-N
			\| NIAID_ChemDB = 002072
	\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
	}}
			\| UNII = PQ6CK8PD0R
	\| Section2 = {{Chembox Properties
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| C = 2
	\| H = 4		\| KEGG = D00018
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| S = 1
			\| ChEMBL = 196
	\| ExactMass = 60.003370818 g mol<sup>−1</sup>

	\| Appearance = Pale, yellow liquid
			<!--Chemical data-->
	\| Density = 1.01 g cm<sup>−3</sup>
			\| chemical_formula =
	\| MeltingPtC = -109
	\| ~~BoilingPtK~~ = ~~329~~		\| C=6 \| H=7 \| O=6
			\| molecular_weight = 176.12 g/]
	\| VaporPressure = 28.6 kPa (at 20 °C)
			\| 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
	\| Section4 = {{Chembox Thermochemistry
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| DeltaHf = 51-53 kJ mol<sup>-1</sup>
			\| 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
	\| DeltaHc = -2.0126 MJ mol<sup>-1</sup>
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	}}
			\| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
	\| Section5 = {{Chembox Hazards
			\| synonyms = <small>L</small>-ascorbic acid
	\| GHSPictograms = {{GHS flame}} {{GHS corrosion}} {{GHS skull and crossbones}}
			\| density = 1.694
	\| GHSSignalWord = '''DANGER'''
			\| melting_point = 190
	\| HPhrases = {{H-phrases\|225\|301\|318\|331}}
			\| boiling_point = 553
	\| PPhrases = {{P-phrases\|210\|261\|280\|301+310\|305+351+338\|311}}
	\| EUClass = {{Hazchem F}} {{Hazchem T}}
	\| RPhrases = {{R11}}, {{R23/25}}, {{R41}}
	\| SPhrases = {{S16}}, {{S36/37/39}}, {{S45}}
	\| NFPA-F = 4
	\| NFPA-H = 3
	\| NFPA-R = 2
	\| FlashPt = 10 °C
	}}
	\| Section6 = {{Chembox Related
	\| Function = ]
	\| OtherFunctn = ]<br />]<br />]
	}}
	}}		}}

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 names	L-ascorbic acid
AHFS/Drugs.com	Multum Consumer Information
Pregnancy category	A
Routes of administration	oral
ATC code	A11G (WHO)
Legal status
Legal status	general public availability
Pharmacokinetic data
Bioavailability	rapid & complete
Protein binding	negligible
Elimination half-life	varies according to plasma concentration
Excretion	renal
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	50-81-7
PubChem CID	5785
DrugBank	DB00126
ChemSpider	10189562
UNII	PQ6CK8PD0R
KEGG	D00018
ChEBI	CHEBI:29073
ChEMBL	ChEMBL196
NIAID ChemDB	002072
Chemical and physical data
Formula	C₆H₇O₆
Molar mass	176.12 g/mole g·mol
3D model (JSmol)	Interactive image
Density	1.694 g/cm
Melting point	190 °C (374 °F)
Boiling point	553 °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)