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

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Revision as of 16:25, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 468365557 of page Yellow_2G for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 16:26, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 470514738 of page Yohimbine 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 = ~~439405493~~		\| verifiedrevid = 440670147
	\| ImageFile = Yellow 2G sodium.png
			\| IUPAC_name = 17α-hydroxy-yohimban-16α-<br />carboxylic acid methyl ester
	\| ImageSize = 200px
			\| image = Yohimbine structure.svg
	\| IUPACName = Disodium 2,5-dichloro-4-benzenesulfonate
			\| width = 200
	\| OtherNames = Lissamine Fast Yellow; C.I. Acid Yellow 17; C.I. 18965; Light Fast Yellow 2G; C.I. Food Yellow 5; Acid Leather Yellow 2GL; Erio Flavine SX; Fenalan Yellow G; Erio Flavine 3G; Kayacyl Yellow GG

	\| Section1 = {{Chembox Identifiers
			<!--Clinical data-->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~3490830~~		\| tradename = Yocon
			\| pregnancy_category =
			\| legal_status = OTC
			\| routes_of_administration = Oral

			<!--Pharmacokinetic data-->
			\| bioavailability =
			\| metabolism =
			\| excretion =

			<!--Identifiers-->
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| CAS_number = 146-48-5
			\| ATC_prefix = G04
			\| ATC_suffix = BE04
			\| ATC_supplemental = {{ATCvet\|V03\|AB93}}
		⚫	\| PubChem = 8969
			\| IUPHAR_ligand = 102
			\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
			\| DrugBank = DB01392
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 8622
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 2Y49VWD90Q
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| ChEBI = 10093
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 15245

			<!--Chemical data-->
			\| C=21 \| H=26 \| N=2 \| O=3
			\| molecular_weight = 354.44 g/mol (base)<br />390.90 g/mol (hydrochloride)
			\| smiles = O=C(OC)54C3c2nc1ccccc1c2CCN3C4CC5O
			\| InChI = 1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
			\| InChIKey = BLGXFZZNTVWLAY-SCYLSFHTSA-N
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C16H12Cl2N4O7S2~~/c1-8-15(~~20-~~19-9-2-4-10(5-3-~~9)30(24,25)26)~~16(23)22~~(21~~-8~~)13~~-6-12(18)14(7-11(13)~~17)31(27,28)29~~/h2-7,~~15H~~,~~1H3~~,(H,24,25,~~26)(H~~,27,28,~~29)/p~~-~~2/b20~~-19+		\| StdInChI = 1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~DWYWPBYWDAZKNX~~-~~FMQUCBEESA~~-L		\| StdInChIKey = BLGXFZZNTVWLAY-SCYLSFHTSA-N
	\| InChI = 1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29)/p-2/b20-19+
	\| InChIKey1 = DWYWPBYWDAZKNX-FMQUCBEESA-L
⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
	\| CASNo = <!-- blanked - oldvalue: 6359-98-4 -->
⚫	\| PubChem = ~~4284331~~
	\| SMILES = CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O))C3=CC(=C(C=C3Cl)S(=O)(=O))Cl..
	}}
	\| Section2 = {{Chembox Properties
	\| Formula = C<sub>16</sub>H<sub>10</sub>Na<sub>2</sub>N<sub>4</sub>O<sub>7</sub>S<sub>2</sub>
	\| MolarMass = 551.29 g/mol
	\| Appearance =
	\| Density =
	\| MeltingPt =
	\| BoilingPt =
	\| Solubility =
	}}
	\| Section3 = {{Chembox Hazards
	\| MainHazards =
	\| FlashPt =
	\| Autoignition =
	\| RPhrases =
	\| SPhrases = {{S24}} {{S25}} {{S28}}A {{S37}} {{S45}}
	}}
	}}		}}

Revision as of 16:26, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 470514738 of page Yohimbine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Trade names	Yocon
Routes of administration	Oral
ATC code	G04BE04 (WHO) QV03AB93 (WHO)
Legal status
Legal status	In general: Over-the-counter (OTC)
Identifiers
IUPAC name 17α-hydroxy-yohimban-16α- carboxylic acid methyl ester
CAS Number	146-48-5
PubChem CID	8969
IUPHAR/BPS	102
DrugBank	DB01392
ChemSpider	8622
UNII	2Y49VWD90Q
ChEBI	CHEBI:10093
ChEMBL	ChEMBL15245
Chemical and physical data
Formula	C₂₁H₂₆N₂O₃
Molar mass	354.44 g/mol (base) 390.90 g/mol (hydrochloride) g·mol
3D model (JSmol)	Interactive image
SMILES O=C(OC)54C3c2nc1ccccc1c2CCN3C4CC5O
InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 Key:BLGXFZZNTVWLAY-SCYLSFHTSA-N
(what is this?) (verify)