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 15:46, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456537057 of page Gramicidin for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL').← Previous edit		Revision as of 15:47, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456816504 of page Granisetron for the Chem/Drugbox validation project (updated: 'ChEMBL').Next edit →
Line 1:		Line 1:
	{{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\|drugbox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{drugbox
	\| Verifiedfields = changed		\| Verifiedfields = changed
	\| verifiedrevid = ~~414063447~~		\| verifiedrevid = 407380372
			\| IUPAC_name = 1-methyl-''N''-((1''R'',3''r'',5''S'')-9-methyl-9-azabicyclononan-3-yl)-1''H''-indazole-3-carboxamide
	\| image = ~~Gramicidin A~~.~~gif~~		\| image = granisetron.svg
			\| width = 185
			\| image2 = Granisetron_3D.png

	<!--Clinical data-->		<!--Clinical data-->
	\| tradename =		\| tradename = Kytril
	\| Drugs.com = {{drugs.com\|~~international~~\|~~gramicidin~~}}		\| Drugs.com = {{drugs.com\|monograph\|granisetron-hydrochloride}}
			\| MedlinePlus = a601211
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
			\| pregnancy_category = B1 <small>(])</small>,
	\| pregnancy_US = <!-- A / B / C / D / X -->
			\| legal_status = S4 <small>(Au)</small>, POM <small>(])</small>, ℞-only <small>(U.S.)</small>
	\| legal_AU = <!-- Unscheduled / S2 / S4 / S8 -->
			\| routes_of_administration = Oral, intravenous, transdermal
	\| legal_UK = <!-- GSL / P / POM / CD -->

	\| legal_US = <!-- OTC / Rx-only -->
			<!--Pharmacokinetic data-->
			\| bioavailability = 60%
			\| protein_bound = 65%
			\| metabolism = Hepatic Brandy's
			\| elimination_half-life = 3–14 hours
			\| excretion = Renal 11–12%, faecal 38%

	<!--Identifiers-->		<!--Identifiers-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}		\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = ~~1405~~-97-6		\| CAS_number = 109889-09-0
	\| ATC_prefix = ~~R02~~		\| ATC_prefix = A04
	\| ATC_suffix = ~~AB30~~		\| ATC_suffix = AA02
			\| PubChem = 3510
	\| DrugBank_Ref = {{drugbankcite\|~~correct~~\|drugbank}}		\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank = <!-- blanked - oldvalue: BTD00036 -->
			\| DrugBank = DB00889
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~3076403~~		\| ChemSpiderID = 10482033
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~5IE62321P4~~		\| UNII = WZG3J2MCOL
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~D04369~~		\| KEGG = D04370
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}		\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| ChEMBL = <!-- blanked - oldvalue: ~~557217~~ -->		\| ChEMBL = <!-- blanked - oldvalue: 519643 -->
	\| C=99 \| H=~~140~~ \| N=20 \| O=17		\| C=18 \| H=24 \| N=4 \| O=1
	\| molecular_weight = ~~1882~~.3 g/mol		\| molecular_weight = 312.41 g/mol
			\| smiles = CN41CCC4C(C1)NC(=O)c3nn(C)c2ccccc23
	\| smiles = O=C1N5C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1Cc2ccccc2)CC(C)C)CCCN)C(C)C)CCC3)Cc4ccccc4)CC(C)C)CCCN)C(C)C)CCC5
			\| InChI = 1/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
	\| InChI = 1/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)
	\| InChIKey = IUAYMJGZBVDSGL-UHFFFAOYAP
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
	\| StdInChI = 1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~IUAYMJGZBVDSGL~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = MFWNKCLOYSRHCJ-BTTYYORXSA-N
	\| synonyms = Bacillus brevis gramicidin D
	}}		}}

Revision as of 15:47, 17 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456816504 of page Granisetron with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data


Trade names	Kytril
AHFS/Drugs.com	Monograph
MedlinePlus	a601211
Pregnancy category	B1 (Au),
Routes of administration	Oral, intravenous, transdermal
ATC code	A04AA02 (WHO)
Legal status
Legal status	S4 (Au), POM (UK), ℞-only (U.S.)
Pharmacokinetic data
Bioavailability	60%
Protein binding	65%
Metabolism	Hepatic Brandy's
Elimination half-life	3–14 hours
Excretion	Renal 11–12%, faecal 38%
Identifiers
IUPAC name 1-methyl-N-((1R,3r,5S)-9-methyl-9-azabicyclononan-3-yl)-1H-indazole-3-carboxamide
CAS Number	109889-09-0
PubChem CID	3510
DrugBank	DB00889
ChemSpider	10482033
UNII	WZG3J2MCOL
KEGG	D04370
Chemical and physical data
Formula	C₁₈H₂₄N₄O
Molar mass	312.41 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES CN41CCC4C(C1)NC(=O)c3nn(C)c2ccccc23
InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14- Key:MFWNKCLOYSRHCJ-BTTYYORXSA-N
(what is this?) (verify)