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

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Revision as of 13:04, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 444091224 of page Rodiasine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit		Revision as of 13:05, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 457466275 of page Roflumilast 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 = ~~444089340~~		\| verifiedrevid = 457465228
	\|ImageFile=Rodiasine structure.png
			\| IUPAC_name = 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
	\|ImageSize=200px
			\| image = Roflumilast.png
	\|IUPACName=
			\| width = 240
	\|OtherNames=

	\|Section1={{Chembox Identifiers
			<!--Clinical data-->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~390797~~		\| tradename =
			\| Drugs.com = {{drugs.com\|CDI\|roflumilast}}
	\| InChI = 1/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3/t29-,30+/m1/s1
			\| MedlinePlus = a611034
	\| InChIKey = HIQZXOFBXJICTD-IHLOFXLRBV
			\| licence_EU = Daxas
			\| licence_US = Roflumilast
			\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
			\| pregnancy_US = C
			\| pregnancy_category =
			\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
			\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
			\| legal_UK = POM
			\| legal_US = Rx-only
			\| legal_status =
			\| routes_of_administration = Oral

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

			<!--Identifiers-->
			\| CAS_number_Ref = {{cascite\|changed\|??}}
		⚫	\| CAS_number = <!-- blanked - oldvalue: 162401-32-3 -->
			\| ATC_prefix = R03
			\| ATC_suffix = DX07
		⚫	\| PubChem = 158787
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank =
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 139677
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 0P6C6ZOP5U
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
			\| ChEMBL = <!-- blanked - oldvalue: 193240 -->
			\| C=17 \| H=14 \| Cl=2 \| F=2 \| N=2 \| O=3
			\| molecular_weight = 403.207 g/mol
			\| smiles = Clc3c(N(OCC1CC1)C(=O)c2ccc(OC(F)F)cc2)c(Cl)cnc3
			\| InChI = 1/C17H14Cl2F2N2O3/c18-13-7-22-8-14(19)15(13)23(25-9-10-1-2-10)16(24)11-3-5-12(6-4-11)26-17(20)21/h3-8,10,17H,1-2,9H2
			\| InChIKey = IWONQDOIPBAXGV-UHFFFAOYAH
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C38H42N2O6~~/~~c1-39~~-13-11-24-19-33(~~43-4~~)~~34-21-26~~(24)29(~~39)17~~-22-7-9-~~31(41)27(15~~-22)~~28-~~16~~-23~~(~~8-10-32(28~~)42-3~~)18~~-30-~~36-25(~~12~~-14-40~~(~~30)2)20~~-~~35(44~~-5)~~37(45~~-~~6)38~~(36)~~46-34~~/h7-10,~~15-16,19-21,29-30,41H,11-14,17-18H2~~,1-~~6H3/t29-~~,~~30+/m1/s1~~		\| StdInChI = 1S/C17H14Cl2F2N2O3/c18-13-7-22-8-14(19)15(13)23(25-9-10-1-2-10)16(24)11-3-5-12(6-4-11)26-17(20)21/h3-8,10,17H,1-2,9H2
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~HIQZXOFBXJICTD~~-~~IHLOFXLRSA~~-N		\| StdInChIKey = IWONQDOIPBAXGV-UHFFFAOYSA-N
⚫	\| ~~CASNo~~ = <!-- blanked - oldvalue: ~~6391~~-64-6 -->
	\| ChEMBL = 1170881
⚫	\| PubChem=~~442345~~
⚫	\| ~~ChEBI_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}
	\| ChEBI = 8886
	\| SMILES = O(c1ccc5cc1c2c(O)ccc(c2)C7N(CCc6cc(OC)c(Oc3c4c(cc(OC)c3OC)CCN(C)4C5)cc67)C)C
	}}
	\|Section2={{Chembox Properties
	\| Formula=C<sub>38</sub>H<sub>42</sub>N<sub>2</sub>O<sub>6</sub>
	\| MolarMass=622.75 g/mol
	\| Appearance=
	\| Density=
	\| MeltingPt=
	\| BoilingPt=
	\| Solubility=
	}}
	\|Section3={{Chembox Hazards
	\| MainHazards=
	\| FlashPt=
	\| Autoignition=
	}}
	}}		}}

Revision as of 13:05, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 457466275 of page Roflumilast with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

AHFS/Drugs.com	Consumer Drug Information
MedlinePlus	a611034
License data	EU EMA: by INN US FDA: Roflumilast
Routes of administration	Oral
ATC code	R03DX07 (WHO)
Legal status
Legal status	UK: POM (Prescription only) US: ℞-only
Identifiers
IUPAC name 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
PubChem CID	158787
ChemSpider	139677
UNII	0P6C6ZOP5U
Chemical and physical data
Formula	C₁₇H₁₄Cl₂F₂N₂O₃
Molar mass	403.207 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES Clc3c(N(OCC1CC1)C(=O)c2ccc(OC(F)F)cc2)c(Cl)cnc3
InChI InChI=1S/C17H14Cl2F2N2O3/c18-13-7-22-8-14(19)15(13)23(25-9-10-1-2-10)16(24)11-3-5-12(6-4-11)26-17(20)21/h3-8,10,17H,1-2,9H2 Key:IWONQDOIPBAXGV-UHFFFAOYSA-N
(what is this?) (verify)