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Revision as of 12:10, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447427441 of page Phentolamine for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit		Revision as of 12:10, 5 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 400848855 of page Phenyl-2-nitropropene for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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	{{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\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{chembox
		⚫	\| verifiedrevid = 400847595
	\| Watchedfields = changed
			\| Name = 1-Phenyl-2-nitropropene
⚫	\| verifiedrevid = ~~418037369~~
			\| ImageFile = Phenyl-2-nitropropene.svg
	\| IUPAC_name = 3-phenol
			\| ImageName = right
	\| image = Phentolamine Structural Formulae.svg
			\| IUPACName = 1-Phenyl-2-nitropropene
	\| image2 = Phentolamine-space-filling.png
			\| OtherNames = P2NP, β-methyl-β-nitropropene, (2-Nitro-1-propenyl)benzene

			\| Section1 = {{Chembox Identifiers
	<!--Clinical data-->
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| tradename = Regitine
		⚫	\| ChemSpiderID = 1266396
	\| Drugs.com = {{drugs.com\|CONS\|phentolamine}}
		⚫	\| PubChem = 1549520
	\| pregnancy_category = C <small>(])
			\| InChI = 1/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
	\| legal_status =
			\| InChIKey = WGSVFWFSJDAYBM-BQYQJAHWBX
	\| routes_of_administration = Usually IV or IM
			\| SMILES = (=O)/C(=C/c1ccccc1)C

	<!--Pharmacokinetic data-->
	\| bioavailability =
	\| protein_bound =
	\| metabolism = Hepatic
	\| elimination_half-life = 19 minutes

	<!--Identifiers-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number = 50-60-2
	\| ATC_prefix = C04
	\| ATC_suffix = AB01
	\| ATC_supplemental = {{ATC\|V03\|AB36}}
⚫	\| PubChem = ~~5775~~
	\| IUPHAR_ligand = 502
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB00692
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~5571~~
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = Z468598HBV
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = D08362
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 597

	<!--Chemical data-->
	\| C=17 \| H=19 \| N=3 \| O=1
	\| molecular_weight = 281.352 g/mol
	\| smiles = Oc3cc(N(c1ccc(cc1)C)CC/2=N/CCN\2)ccc3
	\| InChI = 1/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
	\| InChIKey = MRBDMNSDAVCSSF-UHFFFAOYAI
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C17H19N3O~~/c1-~~13-5-7-14~~(~~8-6-13~~)~~20(~~12~~-17-18~~-9-~~10-19-17)15~~-3-2-4-~~16(21)11~~-15/h2-8,~~11,21H,9~~-~~10,12H2,1H3,(H,18,19)~~		\| StdInChI = 1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~MRBDMNSDAVCSSF~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = WGSVFWFSJDAYBM-BQYQJAHWSA-N
			\| CASNo = <!-- blanked - oldvalue: 705-60-2 -->
			\| CASOther=<ref name="Alfa"></ref>
			}}
			\| Section2 = {{Chembox Properties
			\| Formula = C<sub>9</sub>H<sub>9</sub>NO<sub>2</sub>
			\| MolarMass = 163.17 g mol<sup>−1</sup>
			\| Appearance = solid
			\| MeltingPt = 64-66 °C
			}}
			\| Section7 = {{Chembox Hazards
			\| EUClass = Harmful ('''Xn''')
			\| RPhrases = {{R22}}, {{R36/37/38}}
			}}
	}}		}}

Revision as of 12:10, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 400848855 of page Phenyl-2-nitropropene with values updated to verified values.

1-Phenyl-2-nitropropene
Names

IUPAC name 1-Phenyl-2-nitropropene
Other names P2NP, β-methyl-β-nitropropene, (2-Nitro-1-propenyl)benzene
Identifiers
3D model (JSmol)	Interactive image
ChemSpider	1266396
PubChem CID	1549520
InChI InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+Key: WGSVFWFSJDAYBM-BQYQJAHWSA-N InChI=1/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+Key: WGSVFWFSJDAYBM-BQYQJAHWBX
SMILES (=O)/C(=C/c1ccccc1)C
Properties
Chemical formula	C₉H₉NO₂
Molar mass	163.17 g mol
Appearance	solid
Melting point	64-66 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound

Alfa MSDS