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

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Revision as of 10:48, 9 April 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 485814301 of page Bibenzyl for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI').← 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
	\| ImageFile = Bibenzyl.svg
			\| 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
⚫	\| ~~ImageSize~~ = 200px
			\| image = L-Ascorbic_acid.svg
	\| IUPACName = 1,1’-Ethane-1,2-diyldibenzene
		⚫	\| width = 200px
	\| OtherNames = Dibenzil; Dibenzyl; Dihydrostilbene; 1,2-Diphenylethane; ''sym''-Diphenylethane
			\| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
	\| Section1 = {{Chembox Identifiers
	\| ~~CASNo~~ = ~~103-29-7~~		\| width2 = 200px

⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			<!--Clinical data-->
⚫	\| ChEMBL = ~~440895~~
			\| Drugs.com = {{drugs.com\|MTM\|vitamin_c}}
⚫	\| ChEBI = ~~34047~~
			\| licence_EU = <!-- EMEA requires brand name -->
⚫	\| PubChem = ~~7647~~
			\| licence_US = <!-- FDA may use generic name -->
⚫	\| ChemSpiderID = ~~7364~~
			\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| SMILES = c1ccc(cc1)CCc2ccccc2
			\| pregnancy_US = <!-- A / B / C / D / X -->
	\| InChI = 1/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
			\| pregnancy_category = A
	\| InChIKey = QWUWMCYKGHVNAV-UHFFFAOYAL
			\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
	\| StdInChI = 1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
			\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
⚫	\| StdInChIKey = ~~QWUWMCYKGHVNAV~~-~~UHFFFAOYSA~~-N
			\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
	}}
			\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
	\| Section2 = {{Chembox Properties
			\| legal_status = general public availability
	\| C=14\|H=14
			\| routes_of_administration = oral
	\| Appearance = Crystalline solid<ref name=Merck>'']'', 11th Edition, '''1219'''</ref>

	\| Density = 0.9782 g/cm<sup>3</sup><ref name=Merck/>
			<!--Pharmacokinetic data-->
	\| MeltingPtCL = 52.0
			\| bioavailability = rapid & complete
	\| MeltingPtCL = 52.5
			\| protein_bound = negligible
	\| Melting_notes = <ref name=Merck/>
			\| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
	\| BoilingPtC = 284
			\| excretion = renal
	\| Boiling_notes = <ref name=Merck/>

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