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Revision as of 12:04, 5 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 463897437 of page Phenibut for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 12:04, 5 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 462871996 of page Phenidone for the Chem/Drugbox validation project (updated: '').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 = 412523026
| Watchedfields = changed
| Name = Phenidone
⚫ | verifiedrevid = 408952737
| ImageFile = phenidone.svg
| IUPAC_name = 4-amino-3-phenyl-butyric acid
| ImageSize =
| image = Phenibut.png
| ImageName =

| ImageFile1 = phenidone-spaceFill.png
<!--Clinical data-->
| ImageSize1 =
| tradename =
| ImageName1 =
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| IUPACName = 1-phenyl-3-pyrazolidinone
| pregnancy_US = <!-- A / B / C / D / X -->
| OtherNames =
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| Section1 = {{Chembox Identifiers
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
⚫ | SMILES = O=C2NN(c1ccccc1)CC2
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| legal_US = OTC
⚫ | ChemSpiderID = 6823
| routes_of_administration = Oral
⚫ | PubChem = 7090

⚫ | InChI = 1/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
<!--Pharmacokinetic data-->
| InChIKey = CMCWWLVWPDLCRM-UHFFFAOYAF
| elimination_half-life = 5 hours

<!--Identifiers-->
| CAS_number = <!-- blanked - oldvalue: 1078-21-3 -->
| ATC_prefix = none
⚫ | PubChem = 14113
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 13491
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 315818 | ChEMBL = 7660

<!--Chemical data-->
| C=10 | H=13 | N=1 | O=2
| molecular_weight = 179.216 g/mol
⚫ | smiles = O=C(O)CC(c1ccccc1)CN
⚫ | InChI = 1/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
| InChIKey = DAFOCGYVTAOKAJ-UHFFFAOYAE
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13) | StdInChI = 1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = DAFOCGYVTAOKAJ-UHFFFAOYSA-N | StdInChIKey = CMCWWLVWPDLCRM-UHFFFAOYSA-N
| CASNo = 92-43-3
| synonyms = Fenibut, Phenybut, PhGABA
| CASNo_Ref = {{cascite|correct|CAS}}
| melting_point = 253<!--degrees C or F?-->
| EINECS = 202-155-1
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>9</sub>H<sub>10</sub>N<sub>2</sub>O
| MolarMass = 162.19
| Appearance = Crystal leaflets or needles
| Density =
| Solubility = 10 g/100 ml at 100 °C
| Solubility1 = 10 g/100 ml (hot)
| Solvent1 = ethanol
| Solubility2 = practically insoluble
| Solvent2 = diethyl ether
| MeltingPtC = 121
| pKa =
| Viscosity =
| Dipole =
}}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| MainHazards = Harmful if swallowed
| RPhrases = {{R20}} {{R22}}
}}
<!-- | Section8 = {{Chembox Related
| Function =
| OtherFunctn = }} -->
}} }}

Revision as of 12:04, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 462871996 of page Phenidone with values updated to verified values.
Phenidone
Names
IUPAC name 1-phenyl-3-pyrazolidinone
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
EC Number
  • 202-155-1
PubChem CID
InChI
  • InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)Key: CMCWWLVWPDLCRM-UHFFFAOYSA-N
  • InChI=1/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)Key: CMCWWLVWPDLCRM-UHFFFAOYAF
SMILES
  • O=C2NN(c1ccccc1)CC2
Properties
Chemical formula C9H10N2O
Molar mass 162.19
Appearance Crystal leaflets or needles
Melting point 121 °C (250 °F; 394 K)
Solubility in water 10 g/100 ml at 100 °C
Solubility in ethanol 10 g/100 ml (hot)
Solubility in diethyl ether practically insoluble
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Harmful if swallowed
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound