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 12:24, 15 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 474003222 of page Ursolic_acid for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 12:24, 15 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 474000857 of page Trimethylamine_N-oxide for the Chem/Drugbox validation project (updated: '').Next edit →
Line 1:		Line 1:
	{{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\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{chembox		{{chembox
			\| Name=Trimethylamine ''N''-oxide
	\| Verifiedfields = changed
		⚫	\| verifiedrevid = 470615425
	\| Watchedfields = changed
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
⚫	\| verifiedrevid = ~~441366398~~
		⚫	\| ImageFile=Trimethylaminoxid.svg
	\| Name = Ursolic acid
		⚫	\|ImageSize= 150
⚫	\| ImageFile = ~~Ursolic acid~~.svg
			\|PIN= ''N'',''N''-dimethylmethanamine oxide
⚫	\| ImageSize = ~~250px~~
			\|IUPACName= trimethylamine oxide
	\| ImageName =
			\|OtherNames= trimethylamine oxide, TMAO, TMANO
	\| IUPACName = (1''S'',2''R'',4a''S'',6a''R'',6a''S'',6b''R'',8a''R'',10''S'',12a''R'',14b''S'')-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1''H''-picene-4a-carboxylic acid<ref name="pubchem">{{PubChem\|64945}}</ref>
		⚫	\|Section1={{Chembox Identifiers
	\| OtherNames = Prunol, Malol, ''beta''-Ursolic acid, NSC4060, CCRIS 7123, TOS-BB-0966, 3-''beta''-hydroxyurs-12-en-28-oic acid<ref name="pubchem"/>
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| Section1 = {{Chembox Identifiers
	\| ~~PubChem~~ = ~~64945~~		\| ChemSpiderID = 1113
	\| ~~ChEMBL_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| ~~ChEMBL~~ = ~~169~~		\| UNII = FLD0K1SJ1A
	\| ~~ChEBI_Ref~~ = {{~~ebicite~~\|~~changed~~\|~~EBI~~}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ~~ChEBI~~ = ~~9908~~		\| KEGG = C01104
			\| InChI = 1/C3H9NO/c1-4(2,3)5/h1-3H3
	\| SMILES = O=C(O)54(/C3=C/C1(CC21(C)CC(O)C2(C)C)(C)3(C)CC4)(C)(C)CC5
			\| InChIKey = UYPYRKYUKCHHIB-UHFFFAOYAU
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 58472
	\| InChI = 1/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
	\| InChIKey = WCGUUGGRBIKTOS-GPOJBZKABB
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C3H9NO/c1-4(2,3)5/h1-3H3
	\| StdInChI = 1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~WCGUUGGRBIKTOS~~-~~GPOJBZKASA~~-N		\| StdInChIKey = UYPYRKYUKCHHIB-UHFFFAOYSA-N
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = 77-52-1		\| CASNo= 1184-78-7
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~RTECS =~~		\| PubChem= 1145
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	}}
			\| ChEBI = 15724
⚫	\| Section2 = {{Chembox Properties
	\| C~~=30\|H=48\|~~O=3		\| SMILES = C(C)(C)
		⚫	}}
⚫	\| Appearance =
		⚫	\|Section2={{Chembox Properties
	\| Density =
			\| C=3 \| H = 9 \| N = 1 \| O = 1
⚫	\| Solubility =
			\| MolarMass=75.11
	\| MeltingPt =
		⚫	\| Appearance= colourless solid
	\| BoilingPt =
	\| ~~pKa~~ =		\| Density=
			\| MeltingPt= 220–222 °C (hydrate: 96 °C)
	\| pKb =
	\| ~~Viscosity~~ =		\| BoilingPt=
		⚫	\| Solubility= good
	}}
	\| Section3 = {{Chembox Structure
	\| MolShape =
	\| Coordination =
	\| CrystalStruct =
	\| Dipole =
	}}
	\| Section7 = {{Chembox Hazards
	\| ExternalMSDS =
	\| MainHazards =
	\| FlashPt =
	\| RPhrases =
	\| SPhrases =
	}}
	\| Section8 = {{Chembox Related
	\| OtherAnions =
	\| OtherCations =
	\| OtherCpds =
	}}		}}
	}}		}}

Revision as of 12:24, 15 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 474000857 of page Trimethylamine_N-oxide with values updated to verified values.

Trimethylamine N-oxide
Names

IUPAC name trimethylamine oxide
Preferred IUPAC name N,N-dimethylmethanamine oxide
Other names trimethylamine oxide, TMAO, TMANO
Identifiers
CAS Number	1184-78-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:15724
ChemSpider	1113
KEGG	C01104
PubChem CID	1145
UNII	FLD0K1SJ1A
InChI InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3Key: UYPYRKYUKCHHIB-UHFFFAOYSA-N InChI=1/C3H9NO/c1-4(2,3)5/h1-3H3Key: UYPYRKYUKCHHIB-UHFFFAOYAU
SMILES C(C)(C)
Properties
Chemical formula	C₃H₉NO
Molar mass	75.11
Appearance	colourless solid
Melting point	220–222 °C (hydrate: 96 °C)
Solubility in water	good
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound