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

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Revision as of 14:23, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 464037189 of page Sirolimus for the Chem/Drugbox validation project (updated: 'DrugBank', '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\|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 = ~~458658455~~
			\| image = L-Ascorbic_acid.svg
	\| IUPAC_name = (3''S'',6''R'',7''E'',9''R'',10''R'',12''R'',14''S'',15''E'',17''E'',19''E'',21''S'',23''S'',<br>26''R'',27''R'',34a''S'')-9,10,12,13,14,21,22,23,24,25,26,<br>27,32,33,34,34a-hexadecahydro-9,27-dihydroxy-3-<br>-<br>1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-<br>hexamethyl-23,27-epoxy-3''H''-pyrido-<br>oxaazacyclohentriacontine-1,5,11,28,29<br>(4''H'',6''H'',31''H'')-pentone
	\| ~~image~~ = ~~Sirolimus.svg~~		\| width = 200px
		⚫	\| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
	\| width = 250
		⚫	\| width2 = 200px
⚫	\| image2 = ~~Sirolimus~~-from-~~1C9H~~-3D-~~sticks~~.png

⚫	\| width2 = ~~250~~
			<!--Clinical data-->
			\| Drugs.com = {{drugs.com\|MTM\|vitamin_c}}
			\| licence_EU = <!-- EMEA requires brand name -->
			\| licence_US = <!-- FDA may use generic name -->
			\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
			\| pregnancy_US = <!-- A / B / C / D / X -->
			\| pregnancy_category = A
			\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
			\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
			\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
			\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
			\| legal_status = general public availability
		⚫	\| routes_of_administration = oral

			<!--Pharmacokinetic data-->
			\| bioavailability = rapid & complete
		⚫	\| protein_bound = negligible
			\| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
		⚫	\| excretion = renal

			<!--Identifiers-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
		⚫	\| CAS_number = 50-81-7
			\| 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_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~10482078~~		\| ChemSpiderID = 10189562
			\| NIAID_ChemDB = 002072
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~W36ZG6FT64~~		\| UNII = PQ6CK8PD0R
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
		⚫	\| KEGG = D00018
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEMBL = 196
⚫	\| ChEBI_Ref = {{ebicite\|~~changed~~\|EBI}}

	\| ChEBI = <!-- blanked - oldvalue: 9168 -->
			<!--Chemical data-->
	\| InChI = 1/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
			\| chemical_formula =
	\| InChIKey = QFJCIRLUMZQUOT-HPLJOQBZBU
		⚫	\| C=6 \| H=7 \| O=6
	\| smiles = O1CC(C1OC)C(C)4CC(=O)(C)/C=C(\C)(O)(OC)C(=O)(C)C(C)\C=C\C=C\C=C(/C)(OC)C2CC(C)(O)(O2)C(=O)C(=O)N3CCCC3C(=O)O4
		⚫	\| 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/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~QFJCIRLUMZQUOT~~-~~HPLJOQBZSA~~-N		\| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
			\| synonyms = <small>L</small>-ascorbic acid
⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| density = 1.694
⚫	\| CAS_number = ~~53123~~-88-9
	\| ~~ATC_prefix~~ = ~~L04~~		\| melting_point = 190
	\| ~~ATC_suffix~~ = ~~AA10~~		\| boiling_point = 553
	\| ATC_supplemental =
⚫	\| ChEMBL = ~~413~~
⚫	\| PubChem = ~~5284616~~
⚫	\| DrugBank_Ref = {{drugbankcite\|~~changed~~\|drugbank}}
⚫	\| DrugBank = ~~DB00877~~
⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
⚫	\| KEGG = ~~D00753~~
⚫	\| C = 51 \| H = ~~79 \| N = 1~~ \| O = 13
⚫	\| molecular_weight = ~~914~~.~~172~~ g/~~mol~~
	\| bioavailability = 20%, less after eating food rich in fat
⚫	\| protein_bound = ~~92%~~
	\| metabolism = Hepatic
	\| elimination_half-life = 57–63 hours
	\| licence_EU = Rapamune
	\| licence_US = Sirolimus
	\| pregnancy_AU = C
	\| pregnancy_US = C
	\| legal_US = Rx-only
⚫	\| routes_of_administration = ~~Oral~~
⚫	\| excretion = ~~Mostly faecal~~
	}}		}}

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)