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

< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively ← Previous edit Next edit →Content deleted Content addedVisual WikitextInline

Revision as of 15:02, 17 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 460212138 of page Bupivacaine for the Chem/Drugbox validation project (updated: 'CAS_number', 'DrugBank', 'ChEBI', 'StdInChI', 'StdInChIKey').← Previous edit		Revision as of 15:03, 17 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 462803842 of page Butanilicaine for the Chem/Drugbox validation project (updated: 'ChEBI', 'CASNo').Next edit →
Line 1:		Line 1:
	{{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\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{chembox
⚫	\| verifiedrevid = ~~460210699~~
	\| IUPAC_name = (''RS'')-1-butyl-''N''-(2,6-dimethylphenyl)<br />piperidine-2-carboxamide
	\| image = Bupivacaine skeletal.svg
	\| imagename = 1 : 1 mixture (racemate)
	\| drug_name = Bupivacaine

	<!--Clinical data-->
	\| tradename =
	\| Drugs.com = {{drugs.com\|monograph\|bupivacaine-hydrochloride}}
	\| pregnancy_AU = A
	\| legal_AU = S4
	\| routes_of_administration = ], ]

	<!--Pharmacokinetic data-->
	\| bioavailability = n/a
	\| metabolism = ]
	\| elimination_half-life = 3.5 hours (adults) <br />8.1 hours (neonates)
	\| excretion = ], 4–10%

	<!--Identifiers-->
	\| ATC_prefix = N01
	\| ATC_suffix = BB01
	\| CAS_number = 2180-92-9
⚫	\| PubChem = ~~5282419~~
	\| IUPHAR_ligand = 2397
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB00297
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~Y8335394RO~~		\| UNII = 7X3WV51F4N
		⚫	\| verifiedrevid = 444470196
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\|ImageFile=Butanilicaine.svg
	\| KEGG = D07552
			\|ImageSize=
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\|IUPACName=
	\| ChEBI = 3215
			\|OtherNames=
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\|Section1={{Chembox Identifiers
	\| ChEMBL = 1098
	\| ~~CASNo~~ = ~~38396-39-3~~		\| ChEBI = 55518
		⚫	\| PubChem=22379
	\| CAS_number = 2180-92-9
			\| SMILES=CCCCNCC(=O)NC1=C(C=CC=C1Cl)C
	\| PubChem = 2474
			\| CASNo = <!-- blanked - oldvalue: 3785-21-5 -->
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~2380~~		\| ChemSpiderID = 21004
			\| InChI = 1/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
	\| SMILES = O=C(Nc1c(cccc1C)C)C2N(CCCC)CCCC2
			\| InChIKey = VWYQKFLLGRBICZ-UHFFFAOYAQ
	\| InChI = 1/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
		⚫	\| StdInChI = 1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
	\| InChIKey = LEBVLXFERQHONN-UHFFFAOYAJ
		⚫	\| StdInChIKey = VWYQKFLLGRBICZ-UHFFFAOYSA-N
⚫	\| StdInChI = 1S/~~C18H28N2O~~/c1-4-5-12-20-~~13-7-6-11-16~~(20)~~18(21)19~~-17-14(2)9-8-10-15(17)3/h8-10,~~16H~~,4-7,11-~~13H2~~,1-~~3H3~~,(H,19,21)
			}}
⚫	\| StdInChIKey = ~~LEBVLXFERQHONN~~-UHFFFAOYSA-N
			\|Section2={{Chembox Properties
	\| C=18 \| H=28 \| N=2 \| O=1
			\| Formula=C<sub>13</sub>H<sub>19</sub>ClN<sub>2</sub>O
	\| molecular_weight = 288.43 g/mol
			\| MolarMass=254.75576
	\| smiles = Cl.O=C(Nc1c(cccc1C)C)C2N(CCCC)CCCC2.O
			\| Appearance=
	\| InChI = 1/C18H28N2O.ClH.H2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H;1H2
			\| Density=
	\| InChIKey = HUCIWBPMHXGLFM-UHFFFAOYAK
			\| MeltingPt=
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| BoilingPt=
	\| StdInChI = 1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
			\| Solubility=
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			}}
	\| StdInChIKey = LEBVLXFERQHONN-UHFFFAOYSA-N
			\|Section3={{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 15:03, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 462803842 of page Butanilicaine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers

3D model (JSmol)	Interactive image
ChEBI	CHEBI:55518
ChemSpider	21004
PubChem CID	22379
InChI InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)Key: VWYQKFLLGRBICZ-UHFFFAOYSA-N InChI=1/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)Key: VWYQKFLLGRBICZ-UHFFFAOYAQ
SMILES CCCCNCC(=O)NC1=C(C=CC=C1Cl)C
Properties
Chemical formula	C₁₃H₁₉ClN₂O
Molar mass	254.75576
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound