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

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Revision as of 13:44, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 457647503 of page Porfimer_sodium for the Chem/Drugbox validation project (updated: 'DrugBank', 'UNII', 'ChEMBL', 'CAS_number').← 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\|drugbox}}) 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.}}
	{{~~Drugbox~~		{{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 = ~~400857189~~
			\| image = L-Ascorbic_acid.svg
	\| IUPAC_name =
		⚫	\| width = 200px
	\| image = Porfimer Sodium.png
			\| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
⚫	\| width = ~~300~~
			\| width2 = 200px

	<!--Clinical data-->		<!--Clinical data-->
		⚫	\| Drugs.com = {{drugs.com\|MTM\|vitamin_c}}
	\| tradename =
			\| licence_EU = <!-- EMEA requires brand name -->
⚫	\| Drugs.com = {{drugs.com\|~~CDI~~\|~~porfimer_sodium~~}}
			\| licence_US = <!-- FDA may use generic name -->
	\| licence_EU = Photobarr
	\| licence_US = Photofrin
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->		\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| pregnancy_US = C		\| pregnancy_US = <!-- A / B / C / D / X -->
			\| pregnancy_category = A
	\| legal_AU = <!-- Unscheduled / S2 / S4 / S8 -->
	\| ~~legal_UK~~ = <!-- ~~GSL~~ / P / ~~POM~~ / CD -->		\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
			\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
	\| legal_US = Rx-only
			\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
⚫	\| routes_of_administration = ]
			\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
			\| legal_status = general public availability
		⚫	\| routes_of_administration = oral

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
	\| bioavailability = NA		\| bioavailability = rapid & complete
	\| protein_bound = ~~~90%~~		\| protein_bound = negligible
			\| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
	\| metabolism =
		⚫	\| excretion = renal
	\| elimination_half-life = 21.5 days (mean)
⚫	\| excretion = ~~Fecal~~

	<!--Identifiers-->		<!--Identifiers-->
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}		\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = <!-- ~~blanked - oldvalue: 97067-70-4 -->~~		\| CAS_number = 50-81-7
			\| ATC_prefix = A
	\| CAS_supplemental = {{CAS\|87806-31-3}}
	\| ~~ATC_prefix~~ = ~~L01~~		\| ATC_suffix = 11G
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ATC_suffix = XD01
			\| ChEBI = 29073
	\| ATC_supplemental =
	\| PubChem = ~~57166~~		\| PubChem = 5785
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}		\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = ~~<!-- blanked - oldvalue: APRD00078 -->~~		\| DrugBank = DB00126
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~10482283~~		\| ChemSpiderID = 10189562
			\| NIAID_ChemDB = 002072
	\| UNII_Ref = {{fdacite\|~~changed~~\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = <!-- blanked - oldvalue: Y3834SIK5F -->
			\| UNII = PQ6CK8PD0R
⚫	\| ~~ChEMBL_Ref~~ = {{ebicite\|~~changed~~\|EBI}}
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ChEMBL = <!-- blanked - oldvalue: 1201707 -->
			\| KEGG = D00018
	\| C=68 \| H=74 \| N=8 \| O=11 (for n=0)
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| molecular_weight = ~~1179~~.36 g/~~mol~~ (~~for n=0~~)
			\| ChEMBL = 196
	\| smiles = .OC(=O)CC\C2=C(/C)c1cc%10nc(cc4nc(cc3nc(cc2n1)c(CCC(O)=O)c3C)/C(=C4/C)C(C)OC(C)c9c5nc(cc8nc(cc7nc(cc6nc(c5)C(\C)=C6\C(C)O)c(C)c7CCC(O)=O)C(\CCC(O)=O)=C8\C)c9C)c(C(C)O)c%10C

	\| InChI = 1/C68H74N8O11.Na
			<!--Chemical data-->
	\| InChIKey = CGQHMICGJYKFFJ-ZLJVSRBABP
			\| 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_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
	\| StdInChI = 1S/C68H74N8O11.Na/c1-29-41(13-17-61(79)80)53-28-56-44(16-20-64(85)86)32(4)48(72-56)24-59-68(36(8)52(76-59)25-58-65(37(9)77)33(5)49(73-58)21-45(29)69-53)40(12)87-39(11)67-35(7)50-22-46-30(2)42(14-18-62(81)82)54(70-46)27-55-43(15-19-63(83)84)31(3)47(71-55)23-57-66(38(10)78)34(6)51(74-57)26-60(67)75-50;/h21-28,37-40,71-73,75,77-78H,13-20H2,1-12H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86);/q;+1/b45-21-,46-22-,47-23-,48-24-,49-21-,50-22-,51-26-,52-25-,53-28-,54-27-,55-27-,56-28-,57-23-,58-25-,59-24-,60-26-;
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~CGQHMICGJYKFFJ~~-~~ZLJVSRBASA~~-N		\| 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)