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

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Revision as of 07:09, 18 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 469154998 of page Ixabepilone for the Chem/Drugbox validation project (updated: '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
	\| Watchedfields = changed
		⚫	\| image = L-Ascorbic_acid.svg
⚫	\| verifiedrevid = ~~400125244~~
			\| width = 200px
	\| IUPAC_name = (1''R'',5''S'',6''S'',7''R'',10''S'',14''S'',16''S'')-6,10-dihydroxy-1,5,7,<br>9,9-pentamethyl-14--17-oxa-13-azabicyclo<br>heptadecane-8,12-dione
			\| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
⚫	\| image = ~~Ixabepilone~~.svg
	\| ~~width~~ = ~~250~~		\| width2 = 200px

	<!--Clinical data-->		<!--Clinical data-->
		⚫	\| Drugs.com = {{drugs.com\|MTM\|vitamin_c}}
	\| tradename = Ixempra
			\| licence_EU = <!-- EMEA requires brand name -->
⚫	\| Drugs.com = {{drugs.com\|~~monograph~~\|~~ixabepilone~~}}
			\| licence_US = <!-- FDA may use generic name -->
	\| MedlinePlus = a608042
	\| licence_US = Ixabepilone
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->		\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| pregnancy_US = D		\| pregnancy_US = <!-- A / B / C / D / X -->
	\| pregnancy_category =		\| pregnancy_category = A
	\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->		\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
	\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->		\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
	\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->		\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
	\| legal_US = Rx-only		\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
	\| legal_status =		\| legal_status = general public availability
	\| routes_of_administration = ]		\| routes_of_administration = oral

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
	\| bioavailability = ~~N/A~~		\| bioavailability = rapid & complete
	\| protein_bound = ~~67 to 77%~~		\| protein_bound = negligible
			\| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
	\| metabolism = Extensive, ], ]-mediated
			\| excretion = renal
	\| elimination_half-life = 52 hours
	\| excretion = Fecal (mostly) and ]

	<!--Identifiers-->		<!--Identifiers-->
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}		\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = <!-- ~~blanked - oldvalue: 219989-84-1 -->~~		\| CAS_number = 50-81-7
	\| ATC_prefix = ~~L01~~		\| ATC_prefix = A
	\| ATC_suffix = ~~DC04<!--will come into effect January 2008-->~~		\| ATC_suffix = 11G
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| PubChem = 6445540
			\| ChEBI = 29073
⚫	\| DrugBank_Ref = {{drugbankcite\|~~changed~~\|drugbank}}
	\| ~~DrugBank~~ = ~~DB04845~~		\| PubChem = 5785
		⚫	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB00126
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~20145579~~		\| ChemSpiderID = 10189562
			\| NIAID_ChemDB = 002072
	\| UNII_Ref = {{fdacite\|~~changed~~\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~K27005NP0A~~		\| UNII = PQ6CK8PD0R
	\| KEGG_Ref = {{keggcite\|~~changed~~\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~D04645~~		\| KEGG = D00018
⚫	\| ~~ChEMBL_Ref~~ = {{ebicite\|~~changed~~\|EBI}}
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = <!-- blanked - oldvalue: 1201752 -->
			\| ChEMBL = 196
⚫	\| C=27 \| H=~~42 \| N=2~~ \| O=~~5 \| S=1~~

⚫	\| molecular_weight = ~~506~~.~~698~~ g/~~mol~~
			<!--Chemical data-->
	\| smiles = Cc3nc(/C=C(\C)1C2O2(C)CCC(C)(O)(C)C(=O)C(C)(C)(O)CC(=O)N1)cs3
			\| chemical_formula =
	\| InChI = 1/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
		⚫	\| C=6 \| H=7 \| O=6
	\| InChIKey = FABUFPQFXZVHFB-PVYNADRNBP
		⚫	\| 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/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~FABUFPQFXZVHFB~~-~~PVYNADRNSA~~-N		\| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
	\| synonyms = ~~Azaepothilone~~ B		\| 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)