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

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Revision as of 18:41, 9 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444131311 of page Tanomastat for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').← Previous edit		Revision as of 18:42, 9 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 470107980 of page Tapentadol 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 = 457658053
			\| IUPAC_name = 3-phenol hydrochloride
			\| image = Tapentadol.svg
			\| image2 = Tapentadol 3D.png

			<!--Clinical data-->
			\| tradename =
			\| Drugs.com = {{drugs.com\|monograph\|tapentadol-hydrochloride}}
			\| MedlinePlus = a610006
			\| pregnancy_AU = C
			\| pregnancy_US = C
			\| legal_status = Schedule II
			\| routes_of_administration = Oral, Other ROA Unknown

			<!--Pharmacokinetic data-->
			\| bioavailability = 31.9 ± 6.8% (oral)<ref>Terlinden R, Ossig J, Fliegert F, Gohler K (2006). "Pharmacokinetics, excretion and metabolism of tapentadol HCl, a novel centrally acting analgesic in healthy subjects". Program and abstracts of the 25th Annual Scientific Meeting of the American Pain Society; May 3–6, 2006; San Antonio, Texas. Poster 689.</ref>
			\| protein_bound =
			\| metabolism = ] ] and ] conjugation
			\| elimination_half-life = 4 hrs
			\| excretion = ] (>95%) and fecal

			<!--Identifiers-->
			\| CAS_number_Ref = {{cascite\|changed\|??}}
			\| CAS_number = <!-- blanked - oldvalue: 175591-23-8 -->
			\| ATC_prefix = N02
			\| ATC_suffix = AX06
			\| ATC_supplemental =
		⚫	\| PubChem = 9838022
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank =
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 8013742
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~AM1ZX94EXH~~		\| UNII = H8A007M585
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| ImageFile = Tanomastat.svg
			\| ChEMBL = <!-- blanked - oldvalue: 1201776 -->
	\| ImageSize =
			\| C=14 \| H=23 \| N=1 \| O=1
	\| IUPACName = 4-(4'-chlorobiphenyl-4-yl)-4-oxo-2-butanoic acid
			\| molecular_weight = 221.339 g/mol
	\| OtherNames =
			\| smiles = Oc1cc(ccc1)((C)CN(C)C)CC
	\| Section1 = {{Chembox Identifiers
	\| InChI = 1S/~~C23H19ClO3S~~/~~c24~~-~~20-12~~-10-17(11-~~13-20)16~~-6-8-18(~~9-7-~~16)~~22(25)14~~-~~19(23(26)27)15-28-21-4-2-1-3-5-21~~/h1-13,~~19H~~,14~~-15H2~~,(H,26,~~27)~~		\| InChI = 1/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
			\| InChIKey = KWTWDQCKEHXFFR-SMDDNHRTBD
	\| InChIKey1 = JXAGDPXECXQWBC-UHFFFAOYSA-N
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| InChI1 = 1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)
			\| StdInChI = 1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
	\| CASNo =
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| Beilstein = 10706708
		⚫	\| StdInChIKey = KWTWDQCKEHXFFR-SMDDNHRTSA-N
	\| ChEMBL = 83616
			\| synonyms = BN-200<br />CG-5503<br />R-331333
⚫	\| PubChem = ~~177347~~
	\| ~~ChemSpiderID~~ = ~~154422~~		\| density =
			\| melting_point =
⚫	\| StdInChIKey = ~~JXAGDPXECXQWBC~~-~~UHFFFAOYSA~~-N
			\| melting_high =
	\| SMILES = Clc3ccc(c2ccc(C(=O)CC(C(=O)O)CSc1ccccc1)cc2)cc3
			\| boiling_point =
	\| StdInChI = 1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)
			\| boiling_notes = (decomposes)
	}}
			\| solubility =
	\| Section2 = {{Chembox Properties
	\| Formula = \|C=23\|H=19\|Cl=1\|O=3\|S=1\|
	\| MolarMass =
	\| Appearance =
	\| Density =
	\| MeltingPt =
	\| BoilingPt =
	\| Solubility =
	}}
	\| Section3 = {{Chembox Hazards
	\| MainHazards =
	\| FlashPt =
	\| Autoignition =
	}}
	}}		}}

Revision as of 18:42, 9 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 470107980 of page Tapentadol with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data


Other names	BN-200 CG-5503 R-331333
AHFS/Drugs.com	Monograph
MedlinePlus	a610006
Pregnancy category	AU: C
Routes of administration	Oral, Other ROA Unknown
ATC code	N02AX06 (WHO)
Legal status
Legal status	Schedule II
Pharmacokinetic data
Bioavailability	31.9 ± 6.8% (oral)
Metabolism	Hepatic glucuronidation and sulfate conjugation
Elimination half-life	4 hrs
Excretion	Renal (>95%) and fecal
Identifiers
IUPAC name 3-phenol hydrochloride
PubChem CID	9838022
ChemSpider	8013742
UNII	H8A007M585
Chemical and physical data
Formula	C₁₄H₂₃NO
Molar mass	221.339 g/mol g·mol
3D model (JSmol)	Interactive image
Boiling point	(decomposes)
SMILES Oc1cc(ccc1)((C)CN(C)C)CC
InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1 Key:KWTWDQCKEHXFFR-SMDDNHRTSA-N
(what is this?) (verify)

Terlinden R, Ossig J, Fliegert F, Gohler K (2006). "Pharmacokinetics, excretion and metabolism of tapentadol HCl, a novel centrally acting analgesic in healthy subjects". Program and abstracts of the 25th Annual Scientific Meeting of the American Pain Society; May 3–6, 2006; San Antonio, Texas. Poster 689.