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

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Revision as of 09:28, 21 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 461705756 of page Methanandamide for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 09:31, 21 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 461695110 of page Valganciclovir 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 = ~~408592062~~		\| verifiedrevid = 402848438
	\| ImageFile = Methanandamide.svg
			\| IUPAC_name = 2--3-hydroxypropyl (2''S'')-2-amino-3-methylbutanoate
	\| ImageSize = 200px
			\| image = Valganciclovir.svg
	\| IUPACName = (5''Z'',8''Z'',11''Z'',14''Z'')-''N''-icosa-5,8,11,14-tetraenamide
			\| width = 250
	\| OtherNames = AM-356; Arachidonyl-1'-hydroxy-2'-propylamide
			\| imagename = mixture of diastereomers
	\| Section1 = {{Chembox Identifiers
			\| drug_name = Valganciclovir
⚫	\| ~~CASNo~~ = <!-- blanked - oldvalue: ~~157182~~-49-5 -->

⚫	\| ~~CASNo_Ref~~ = {{cascite\|correct\|~~CAS~~}}
			<!--Clinical data-->
⚫	\| PubChem = ~~6321351~~
			\| tradename = Valcyte
⚫	\| ChemSpiderID = ~~4881984~~
			\| Drugs.com = {{drugs.com\|monograph\|valganciclovir-hydrochloride}}
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| MedlinePlus = a605021
	\| SMILES = O=C(N(C)CO)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
			\| pregnancy_US = C
	\| InChI = InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1
			\| legal_UK = POM
	\| InChIKey = SQKRUBZPTNJQEM-FQPARAGTBH
			\| legal_US = Rx-only
			\| routes_of_administration = Oral

			<!--Pharmacokinetic data-->
			\| bioavailability = 60%
			\| protein_bound = 1-2%
			\| metabolism = ] to ]
			\| elimination_half-life = 4 hours
			\| excretion = ]

			<!--Identifiers-->
		⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
		⚫	\| CAS_number = <!-- blanked - oldvalue: 175865-59-5 -->
			\| ATC_prefix = J05
			\| ATC_suffix = AB14
		⚫	\| PubChem = 64147
			\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
			\| DrugBank = DB01610
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 57721
			\| UNII_Ref = {{fdacite\|changed\|FDA}}
			\| UNII = GCU97FKN3R
		⚫	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
			\| ChEMBL = <!-- blanked - oldvalue: 1201314 -->
		⚫	\| C=14 \| H=22 \| N=6 \| O=5
			\| molecular_weight = 354.362 g/mol
			\| smiles = O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)(N)C(C)C
			\| InChI = 1/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
			\| InChIKey = WPVFJKSGQUFQAP-GKAPJAKFBD
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C23H39NO2~~/c1-3-4-5-6-7-8-9-10-11~~-12-13~~-14~~-15-~~16~~-17-18-~~19-~~20-23~~(26)~~24-~~22~~(2)21-25~~/~~h7-8~~,10-11,~~13-14~~,16-17,~~22,25H,3-~~6,~~9,12,15,18-21H2~~,1-2H3,(H,24,26)/~~b8-7-~~,~~11-10-,14-13-,17-16-/t22~~-/m1/s1		\| StdInChI = 1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~SQKRUBZPTNJQEM~~-~~FQPARAGTSA~~-N		\| StdInChIKey = WPVFJKSGQUFQAP-GKAPJAKFSA-N
	\| ChEMBL = 120526
⚫	\| ChEMBL_Ref = {{ebicite\|~~correct~~\|EBI}}
	}}
	\| Section2 = {{Chembox Properties
⚫	\| C=23 \| H=39 \| N=1 \| O=2
	\| Appearance =
	\| Density =
	\| MeltingPt =
	\| BoilingPt =
	\| Solubility =
	}}
	\| Section3 = {{Chembox Hazards
	\| MainHazards =
	\| FlashPt =
	\| Autoignition =
	}}
	}}		}}

Revision as of 09:31, 21 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 461695110 of page Valganciclovir with values updated to verified values.

Valganciclovir
Clinical data

Trade names	Valcyte
AHFS/Drugs.com	Monograph
MedlinePlus	a605021
Routes of administration	Oral
ATC code	J05AB14 (WHO)
Legal status
Legal status	UK: POM (Prescription only) US: ℞-only
Pharmacokinetic data
Bioavailability	60%
Protein binding	1-2%
Metabolism	Hydrolysed to ganciclovir
Elimination half-life	4 hours
Excretion	Renal
Identifiers
IUPAC name 2--3-hydroxypropyl (2S)-2-amino-3-methylbutanoate
PubChem CID	64147
DrugBank	DB01610
ChemSpider	57721
UNII	GCU97FKN3R
Chemical and physical data
Formula	C₁₄H₂₂N₆O₅
Molar mass	354.362 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)(N)C(C)C
InChI InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1 Key:WPVFJKSGQUFQAP-GKAPJAKFSA-N
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