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

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Revision as of 07:02, 18 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476303085 of page Isoprene for the Chem/Drugbox validation project (updated: 'ChEBI').← Previous edit		Revision as of 07:03, 18 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456925987 of page Isopropamide for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').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 = ~~472437843~~		\| verifiedrevid = 400122296
	\| Name = Isoprene
			\| IUPAC_name = 4-amino-''N,N''-diisopropyl-''N''-methyl-4-oxo-3,3-diphenylbutan-1-aminium
	\| ImageFileL1 = Isoprene.svg
			\| image = Isopropamide.png
	\| ImageSizeL1 = 100px

	\| ImageNameL1 = Skeletal formula
			<!--Clinical data-->
	\| ImageFileR1 = Isoprene-3d.png
	\| ~~ImageSizeR1~~ = ~~120px~~		\| tradename =
			\| MedlinePlus = a694006
	\| ImageNameR1 = Space-filling model
			\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| IUPACName = 2-methyl-1,3-butadiene
			\| pregnancy_US = <!-- A / B / C / D / X -->
	\| OtherNames = terpene
			\| pregnancy_category =
	\| Section1 = {{Chembox Identifiers
			\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S8 -->
	\| CASNo = 78-79-5
			\| legal_UK = <!-- GSL / P / POM / CD -->
⚫	\| ~~CASNo_Ref~~ = {{cascite\|correct\|~~CAS~~}}
			\| legal_US = Rx-only, Unscheduled
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| legal_status = Unscheduled
	\| KEGG = C16521
			\| routes_of_administration = Oral
⚫	\| UNII_Ref = {{fdacite\|~~correct~~\|FDA}}

⚫	\| UNII = ~~0A62964IBU~~
			<!--Pharmacokinetic data-->
	\| ChEBI = 35194
	\| ~~PubChem~~ = ~~6557~~		\| bioavailability =
			\| protein_bound =
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~6309~~		\| metabolism =
			\| elimination_half-life =
	\| SMILES = CC(=C)C=C
			\| excretion =
	\| InChI = 1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

	\| InChIKey = RRHGJUQNOFWUDK-UHFFFAOYAS
			<!--Identifiers-->
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| StdInChI = 1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
			\| CAS_number = <!-- blanked - oldvalue: 71-81-8 -->
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| ATC_prefix = A03
⚫	\| StdInChIKey = ~~RRHGJUQNOFWUDK~~-UHFFFAOYSA-N
			\| ATC_suffix = AB09
	}}
			\| PubChem = 3775
	\| Section2 = {{Chembox Properties
			\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| Formula = C<sub>5</sub>H<sub>8</sub>
			\| DrugBank = DB01625
	\| MolarMass = 68.12 g/mol
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| Density = 0.681 g/cm³
			\| ChemSpiderID = 3643
	\| MeltingPt = −143.95 °C
		⚫	\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| BoilingPt = 34.067 °C
		⚫	\| UNII = 8B9I31H724
	}}
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
			\| ChEMBL = <!-- blanked - oldvalue: 1201232 -->
			\| C=23 \| H=33 \| N=2 \| O=1 <sup>+</sup>
			\| molecular_weight = 353.52092 g/mol
			\| smiles = O=C(N)C(c1ccccc1)(c2ccccc2)CC(C(C)C)(C(C)C)C
			\| InChI = 1/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1
			\| InChIKey = JTPUMZTWMWIVPA-IKLDFBCSAQ
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = JTPUMZTWMWIVPA-UHFFFAOYSA-O
	}}		}}

Revision as of 07:03, 18 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456925987 of page Isopropamide with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

MedlinePlus	a694006
Routes of administration	Oral
ATC code	A03AB09 (WHO)
Legal status
Legal status	US: Rx-only, Unscheduled In general: unscheduled
Identifiers
IUPAC name 4-amino-N,N-diisopropyl-N-methyl-4-oxo-3,3-diphenylbutan-1-aminium
PubChem CID	3775
DrugBank	DB01625
ChemSpider	3643
UNII	8B9I31H724
Chemical and physical data
Formula	C₂₃H₃₃N₂O₁
Molar mass	Expression error: Unexpected < operator353.52092 g/molExpression error: Unexpected < operator
3D model (JSmol)	Interactive image
SMILES O=C(N)C(c1ccccc1)(c2ccccc2)CC(C(C)C)(C(C)C)C
InChI InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1 Key:JTPUMZTWMWIVPA-UHFFFAOYSA-O
(what is this?) (verify)