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Revision as of 12:22, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 451335555 of page Terbogrel for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit		Revision as of 12:22, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{drugbox}} taken from revid 467575253 of page Terbutaline 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 = 415868394
			\| IUPAC_name = (''RS'')-5-benzene-1,3-diol
			\| image = Terbutaline.png
			\| width = 200px
			\| imagename = 1 : 1 mixture (racemate)
			\| drug_name = Terbutaline

			<!--Clinical data-->
			\| Drugs.com = {{drugs.com\|monograph\|terbutaline-sulfate}}
			\| MedlinePlus = a682144
			\| pregnancy_category = B
			\| legal_AU =
			\| legal_CA =
			\| legal_UK = POM
			\| legal_US =
			\| legal_status =
			\| routes_of_administration = SQ, Oral, Inhaled

			<!--Pharmacokinetic data-->
			\| bioavailability =
			\| protein_bound =
			\| metabolism = GI tract (oral), liver; CYP450: unknown
			\| elimination_half-life = 3-4h
			\| excretion = urine 90% (60% unchanged), bile/faeces

			<!--Identifiers-->
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| CAS_number = 23031-25-6
			\| ATC_prefix = R03
			\| ATC_suffix = AC03
			\| ATC_supplemental = {{ATC\|R03\|CC03}}
		⚫	\| PubChem = 5403
			\| IUPHAR_ligand = 560
			\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
			\| DrugBank = DB00871
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 5210
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~5Z4KWQ5OGN~~		\| UNII = N8ONU3L3PG
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ImageFile = Terbogrel structure.png
	\| ~~ImageSize~~ =		\| KEGG = D08570
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| IUPACName = (5E)-6-{3-phenyl}-6-pyridin-3-ylhex-5-enoic acid
	\| ~~OtherNames~~ =		\| ChEMBL = 1760

	\| Section1 = {{Chembox Identifiers
			<!--Chemical data-->
	\| CASNo = <!-- blanked - oldvalue: 149979-74-8 -->
			\| C=12 \| H=19 \| N=1 \| O=3
	\| ChEMBL = 281398
			\| molecular_weight = 225.284 g/mol
⚫	\| PubChem = ~~6449876~~
			\| smiles = Oc1cc(cc(O)c1)C(O)CNC(C)(C)C
⚫	\| ChemSpiderID = ~~4952549~~
			\| InChI = 1/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
	\| KEGG = D06077
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+
			\| StdInChI = 1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
⚫	\| StdInChIKey = ~~XUTLOCQNGLJNSA~~-~~RGVLZGJSSA~~-N
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| SMILES = N#CN\C(=N/C(C)(C)C)Nc2cccc(C(=C/CCCC(=O)O)\c1cccnc1)c2
		⚫	\| StdInChIKey = XWTYSIMOBUGWOL-UHFFFAOYSA-N
	\| InChI = InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+
	}}
	\| Section2 = {{Chembox Properties
	\| Formula = C23H27N5O2
	\| MolarMass = 405.49
	\| Appearance =
	\| Density =
	\| MeltingPt =
	\| BoilingPt =
	\| Solubility =
	}}
	\| Section3 = {{Chembox Hazards
	\| MainHazards =
	\| FlashPt =
	\| Autoignition =
	}}
	}}		}}

Revision as of 12:22, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 467575253 of page Terbutaline with values updated to verified values.

Terbutaline
Clinical data

AHFS/Drugs.com	Monograph
MedlinePlus	a682144
Pregnancy category	B
Routes of administration	SQ, Oral, Inhaled
ATC code	R03AC03 (WHO) R03CC03 (WHO)
Legal status
Legal status	UK: POM (Prescription only)
Pharmacokinetic data
Metabolism	GI tract (oral), liver; CYP450: unknown
Elimination half-life	3-4h
Excretion	urine 90% (60% unchanged), bile/faeces
Identifiers
IUPAC name (RS)-5-benzene-1,3-diol
CAS Number	23031-25-6
PubChem CID	5403
IUPHAR/BPS	560
DrugBank	DB00871
ChemSpider	5210
UNII	N8ONU3L3PG
KEGG	D08570
ChEMBL	ChEMBL1760
Chemical and physical data
Formula	C₁₂H₁₉NO₃
Molar mass	225.284 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES Oc1cc(cc(O)c1)C(O)CNC(C)(C)C
InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 Key:XWTYSIMOBUGWOL-UHFFFAOYSA-N
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