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

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Revision as of 17:12, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 456499890 of page 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine 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 = 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 = ~~456498911~~
	\| ~~ImageFile~~ = ~~Pteridine diphosphate~~.svg		\| image = L-Ascorbic_acid.svg
			\| width = 200px
⚫	\| ~~ImageFile_Ref~~ = {{~~chemboximage~~\|correct\|??}}
			\| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
	\| ImageSize = 244
			\| width2 = 200px
	\| ImageName = Skeletal formula of 2-amino-4-hydroxy-6-pyrophosphoryl-methylpteridine

	\| IUPACName = (2-Amino-4-oxo-7,8-dihydro-1''H''-pteridin-6-yl)methyl phosphono hydrogen phosphate
			<!--Clinical data-->
	\| OtherNames = Pteridine diphosphate
			\| Drugs.com = {{drugs.com\|MTM\|vitamin_c}}
	\| Section1={{Chembox Identifiers
	\| ~~CASNo~~ = <!-- ~~blanked~~ - ~~oldvalue:~~ ~~3545-84-4~~ -->		\| licence_EU = <!-- EMEA requires brand name -->
			\| licence_US = <!-- FDA may use generic name -->
	\| CASNo_Ref = {{cascite\|changed\|??}}
			\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| PubChem = 666
			\| pregnancy_US = <!-- A / B / C / D / X -->
	\| PubChem_Ref = {{Pubchemcite\|correct\|PubChem}}
			\| pregnancy_category = A
⚫	\| ChemSpiderID = ~~646~~
			\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
⚫	\| KEGG = ~~C04807~~
			\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
	\| MeSHName = 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine
			\| legal_status = general public availability
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| routes_of_administration = oral
⚫	\| ChEBI = ~~15998~~

	\| ChEMBL = <!-- blanked - oldvalue: 1229984 -->
			<!--Pharmacokinetic data-->
⚫	\| ChEMBL_Ref = {{ebicite\|~~changed~~\|EBI}}
			\| bioavailability = rapid & complete
	\| Beilstein = 8397629
			\| protein_bound = negligible
	\| 3DMet = B01792
			\| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
	\| SMILES = NC1=NC(=O)C2=C(NCC(COP(O)(=O)OP(O)(O)=O)=N2)N1
			\| excretion = renal
	\| SMILES1 = C1C(=NC2=C(N1)NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O

	\| SMILES2 = O=P(O)(O)OP(=O)(O)OCC/1=N/C=2C(=O)\N=C(/NC=2NC\1)N
			<!--Identifiers-->
	\| StdInChI = 1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|correct\|~~chemspider~~}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| InChI = 1/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
			\| CAS_number = 50-81-7
⚫	\| StdInChIKey = ~~FCQGJGLSOWZZON~~-~~UHFFFAOYSA~~-N
			\| ATC_prefix = A
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| ATC_suffix = 11G
	\| InChIKey = FCQGJGLSOWZZON-UHFFFAOYAR
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	}}
		⚫	\| ChEBI = 29073
	\| Section2 = {{Chembox Properties
	\| C = 7		\| PubChem = 5785
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| H = 11
	\| N = 5		\| DrugBank = DB00126
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| O = 8
		⚫	\| ChemSpiderID = 10189562
	\| P = 2
			\| NIAID_ChemDB = 002072
	\| ExactMass = 355.008285377 g mol<sup>-1</sup>
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| LogP = -2.915
	\| ~~pKa~~ = ~~1.252~~		\| UNII = PQ6CK8PD0R
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| pKb = 12.745
		⚫	\| 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)