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

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Revision as of 13:49, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,071 edits Saving copy of the {{chembox}} taken from revid 457668129 of page Sec-Butyllithium for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 13:49, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,071 edits Saving copy of the {{drugbox}} taken from revid 456846666 of page Secnidazole for the Chem/Drugbox validation project (updated: '').Next edit →
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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
			\| Verifiedfields = changed
	\| verifiedrevid = ~~429661642~~		\| verifiedrevid = 409173714
	\| Name = ''sec''-Butyllithium
			\| IUPAC_name = 1-(2-methyl-5-nitro-1''H''-imidazol-1-yl)propan-2-ol
	\| ImageFile = Sec-butyllithium-monomer-2D-skeletal.png
			\| image = Secnidazole.svg
	\| ImageFile_Ref = {{chemboximage\|correct\|??}}

	\| ImageSize = 121
			<!--Clinical data-->
	\| ImageName = Skeletal formula of sec-butyllithium
			\| tradename =
	\| ImageFile1 = Sec-butyllithium-2D-skeletal.png
			\| Drugs.com = {{drugs.com\|international\|secnidazole}}
	\| ImageFile1_Ref = {{chemboximage\|correct\|??}}
			\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| ImageSize1 = 121
			\| pregnancy_US = <!-- A / B / C / D / X -->
	\| ImageName1 = Skeletal formula of tetrameric sec-butyllithium
			\| pregnancy_category =
	\| IUPACName = ''sec''-Butyllithium
			\| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
	\| SystematicName = Butan-2-yllithium{{Reference necessary\|date = March 2010}}
			\| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
	\| Section1 = {{Chembox Identifiers
			\| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
	\| CASNo = 598-30-1
			\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
⚫	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|~~CAS~~}}
	\| ~~PubChem~~ = ~~102446~~		\| legal_status =
			\| routes_of_administration = Oral
	\| PubChem_Ref = {{Pubchemcite\|correct\|PubChem}}

⚫	\| ChemSpiderID = ~~10254345~~
			<!--Pharmacokinetic data-->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| bioavailability =
	\| EINECS = 209-927-7
			\| protein_bound =
	\| Beilstein = 3587206
			\| metabolism =
	\| SMILES = C(C)CC
			\| elimination_half-life =
	\| SMILES1 = CC()CC
			\| excretion =
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}

⚫	\| StdInChI = 1S/~~C4H9.Li~~/c1-3-4-2;/~~h3H~~,4H2,1-2H3;
			<!--Identifiers-->
	\| InChI = 1/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;/rC4H9Li/c1-3-4(2)5/h4H,3H2,1-2H3
	\| ~~StdInChIKey_Ref~~ = {{~~stdinchicite~~\|correct\|~~chemspider~~}}		\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| CAS_number =
⚫	\| StdInChIKey = ~~VATDYQWILMGLEW~~-UHFFFAOYSA-N
			\| ATC_prefix = P01
	\| InChIKey = VATDYQWILMGLEW-MHILWDCKAX
			\| ATC_suffix = AB07
	}}
			\| ATC_supplemental =
	\| Section2 = {{Chembox Properties
	\| C = 4		\| PubChem = 71815
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| H = 9
	\| Li = 1		\| DrugBank =
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ExactMass = 64.086429337 g mol<sup>-1</sup>
		⚫	\| ChemSpiderID = 64839
	}}
			\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| Section3 = {{Chembox Hazards
			\| UNII = R3459K699K
	\| ExternalMSDS =
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	}}
			\| KEGG = D07353
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 498847

			<!--Chemical data-->
			\| chemical_formula =
			\| C=7 \| H=11 \| N=3 \| O=3
			\| molecular_weight = 185.180 g/mol
			\| smiles = (=O)c1cnc(n1CC(O)C)C
			\| InChI = 1/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
			\| InChIKey = KPQZUUQMTUIKBP-UHFFFAOYAM
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChI = 1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = KPQZUUQMTUIKBP-UHFFFAOYSA-N
			\| synonyms = PM 185184, RP 14539
	}}		}}

Revision as of 13:49, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456846666 of page Secnidazole with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Other names	PM 185184, RP 14539
AHFS/Drugs.com	International Drug Names
Routes of administration	Oral
ATC code	P01AB07 (WHO)
Identifiers
IUPAC name 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
PubChem CID	71815
ChemSpider	64839
UNII	R3459K699K
KEGG	D07353
ChEMBL	ChEMBL498847
Chemical and physical data
Formula	C₇H₁₁N₃O₃
Molar mass	185.180 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES (=O)c1cnc(n1CC(O)C)C
InChI InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3 Key:KPQZUUQMTUIKBP-UHFFFAOYSA-N
(what is this?) (verify)