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Revision as of 15:15, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456887783 of page Gemifloxacin for the Chem/Drugbox validation project (updated: 'DrugBank', 'KEGG').← Previous edit		Revision as of 15:17, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 405878172 of page Geranic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').Next edit →
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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\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{chembox
	\| ~~Verifiedfields~~ = changed		\| Watchedfields = changed
	\| verifiedrevid = ~~443833589~~		\| verifiedrevid = 400099276
			\| Name = Geranic acid
	\| IUPAC_name = 7-- 1-cyclopropyl-6-fluoro-4-oxo- 1,8-naphthyridine-3-carboxylic acid
			\| ImageFile = Geranic acid.png
	\| image = Gemifloxacin.svg
			\| ImageSize = 220

			\| ImageName = Skeletal formula
	<!--Clinical data-->
			\| ImageFile1 = Geranic-acid-3D-balls.png
	\| tradename =
			\| ImageSize1 = 240
	\| Drugs.com = {{drugs.com\|monograph\|factive}}
			\| ImageName1 = Ball-and-stick model
	\| MedlinePlus = a604014
			\| IUPACName = 3,7-Dimethyl-2,6-octadienoic acid
	\| pregnancy_category = C
			\| OtherNames = Geranic acid
	\| legal_status = Rx-only
			\| Section1 = {{Chembox Identifiers
	\| routes_of_administration = Oral/IV under development
			\| SMILES = O=C(O)/C=C(/CC\C=C(/C)C)C

		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	<!--Pharmacokinetic data-->
		⚫	\| ChemSpiderID = 4439624
	\| bioavailability = 71%
	\| ~~protein_bound~~ = ~~60-70%~~		\| ChEMBL = 170190
		⚫	\| PubChem = 5275520
	\| metabolism = Limited metabolism by the liver to minor metabolites
			\| InChI = 1/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
	\| excretion = Feces (61%); urine (36%)
			\| InChIKey = ZHYZQXUYZJNEHD-VQHVLOKHBQ

	<!--Identifiers-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = 175463-14-6
	\| ATC_prefix = J01
	\| ATC_suffix = MA15
⚫	\| PubChem = ~~9571107~~
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB01155
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~7845573~~
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = OKR68Y0E4T
	\| KEGG_Ref = {{keggcite\|changed\|kegg}}
⚫	\| ~~KEGG~~ = <!-- blanked - oldvalue: ~~D02471~~ -->
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ChEBI = 101853
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 430

	<!--Chemical data-->
	\| C=18 \| H=20 \| F=1 \| N=5 \| O=4
	\| molecular_weight = 389.381 g/mol
	\| smiles = Fc2c(nc1N(/C=C(/C(=O)O)C(=O)c1c2)C3CC3)N4C/C(=N\OC)C(C4)CN
	\| InChI = 1/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+
	\| InChIKey = ZRCVYEYHRGVLOC-HYARGMPZBL
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C18H20FN5O4~~/c1~~-28-22-14~~-8~~-23~~(~~6-9(14~~)5-~~20)17-13(19)~~4-11-15(~~25)12(18(26)27~~)7-~~24(~~10~~-2-3-10)16~~(11)~~21-17~~/h4,7,~~9-10H~~,~~2-3~~,5-~~6,8,20H2,1H3~~,(H,26,27)/~~b22~~-14+		\| StdInChI = 1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~ZRCVYEYHRGVLOC~~-~~HYARGMPZSA~~-N		\| StdInChIKey = ZHYZQXUYZJNEHD-VQHVLOKHSA-N
		⚫	\| CASNo = <!-- blanked - oldvalue: 459-80-3 -->
			\| RTECS =
			}}
			\| Section2 = {{Chembox Properties
			\| Formula = C<sub>10</sub>H<sub>16</sub>O<sub>2</sub>
			\| MolarMass = 168.24 g/mol
			\| Appearance = Oily liquid
			\| Density = 0.97 g/cm<sup>3</sup>
			\| Solubility =
			\| MeltingPt =
			\| BoilingPt = 249-251 °C (522.15-524.15 K)
			\| pKa =
			\| Viscosity =
			}}
			\| Section3 = {{Chembox Structure
			\| Coordination =
			\| CrystalStruct =
			\| Dipole =
			}}
			\| Section7 = {{Chembox Hazards
			\| MainHazards =
			\| FlashPt =
			}}
			\| Section8 = {{Chembox Related
			\| Function = ]s
			\| OtherFunctn = ]
			\| OtherCpds = ]<br />]
			}}
	}}		}}

Revision as of 15:17, 17 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 405878172 of page Geranic_acid with values updated to verified values.

Geranic acid
Names


IUPAC name 3,7-Dimethyl-2,6-octadienoic acid
Other names Geranic acid
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL170190
ChemSpider	4439624
PubChem CID	5275520
InChI InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+Key: ZHYZQXUYZJNEHD-VQHVLOKHSA-N InChI=1/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+Key: ZHYZQXUYZJNEHD-VQHVLOKHBQ
SMILES O=C(O)/C=C(/CC\C=C(/C)C)C
Properties
Chemical formula	C₁₀H₁₆O₂
Molar mass	168.24 g/mol
Appearance	Oily liquid
Density	0.97 g/cm
Boiling point	249-251 °C (522.15-524.15 K)
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

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Chemical compound