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Revision as of 11:57, 6 March 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 479510524 of page Phenethyl_isothiocyanate for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'CASNo').← Previous edit Revision as of 12:24, 6 March 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 478058631 of page Valpromide for the Chem/Drugbox validation project (updated: 'KEGG', 'CASNo').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|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{Chembox
| ImageFile = Phenethyl isothiocyanate.svg | ImageFile = Valpromide.svg
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageSize = 200px | ImageSize = 160
| IUPACName = (2-Isothiocyanatoethyl)benzene
| ImageName = Skeletal formula of valpromide
| OtherNames = Phenylethyl isothiocyanate; Phenethyl mustard oil
| IUPACName = 2-Propylpentanamide<ref>{{cite web|title=dipropylacetamide - Compound Summary|url=http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71113|work=PubChem Compound|publisher=National Center for Biotechnology Information|accessdate=21 February 2012|location=USA|date=24 June 2005|at=Identification and Related Records}}</ref>
| OtherNames = Depamide{{Citation needed|date=February 2012}}
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | CASNo = <!-- blanked - oldvalue: 2430-27-5 -->
| Abbreviations = PEITC
⚫ | CASNo_Ref = {{cascite|correct|??}}
⚫ | CASNo = <!-- blanked - oldvalue: 2257-09-2 -->
⚫ | PubChem = 71113
⚫ | CASNo_Ref = {{cascite|correct|}}
| PubChem_Ref = {{Pubchemcite|correct|Pubchem}}
⚫ | ChEMBL = 151649
| ChEBI = 351346 | ChemSpiderID = 64264
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | PubChem = 16741
| ChemSpiderID = 15870 | UNII = RUA6CWU76G
| UNII_Ref = {{fdacite|correct|FDA}}
| SMILES = S=C=N/CCc1ccccc1
| EINECS = 219-394-2
| InChI = 1/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
| DrugBank = DB04165
| InChIKey = IZJDOKYDEWTZSO-UHFFFAOYAB
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| StdInChI = 1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
| KEGG = <!-- blanked - oldvalue: D02766 -->
⚫ | StdInChIKey = IZJDOKYDEWTZSO-UHFFFAOYSA-N
| KEGG_Ref = {{keggcite|correct|kegg}}
⚫ }}
| MeSHName = dipropylacetamide
⚫ | ChEMBL = 93836
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ATCCode_prefix = N03
| ATCCode_suffix = AG02
| SMILES = CCCC(CCC)C(N)=O
| StdInChI = 1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = OMOMUFTZPTXCHP-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=9|H=9|N=1|S=1 | C=8|N=1|H=17|O=1
| ExactMass = 143.131014171 g mol<sup>−1</sup>
| Appearance = | Appearance = White crystals
| Density =
| MeltingPt = | MeltingPtC = 125
| BoilingPt = | LogP = 2.041
⚫ }}
| Solubility =
⚫ }}
| Section3 = {{Chembox Hazards | Section3 = {{Chembox Hazards
| GHSPictograms = {{GHS exclamation mark}}
| MainHazards =
| GHSSignalWord = '''WARNING'''
| FlashPt =
| HPhrases = {{H-phrases|302}}
| Autoignition =
| EUClass = {{Hazchem Xn}}
⚫ }}
| RPhrases = {{R22}}
| LD50 = {{Unbulleted list|890.0 mg kg<sup>−1</sup> (oral, rat)|438 mg kg<sup>−1</sup> (intraperitoneal, mouse)}}
⚫ }}
| Section4 = {{Chembox Related
| OtherCpds = {{Unbulleted list|]|]}}
}}
}} }}

Revision as of 12:24, 6 March 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 478058631 of page Valpromide with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula of valpromide
Names
IUPAC name 2-Propylpentanamide
Other names Depamide
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
DrugBank
EC Number
  • 219-394-2
MeSH dipropylacetamide
PubChem CID
UNII
InChI
  • InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)Key: OMOMUFTZPTXCHP-UHFFFAOYSA-N
SMILES
  • CCCC(CCC)C(N)=O
Properties
Chemical formula C8H17NO
Molar mass 143.230 g·mol
Appearance White crystals
Melting point 125 °C (257 °F; 398 K)
log P 2.041
Hazards
GHS labelling:
Pictograms GHS07: Exclamation mark
Signal word Warning
Hazard statements H302
Lethal dose or concentration (LD, LC):
LD50 (median dose)
  • 890.0 mg kg (oral, rat)
  • 438 mg kg (intraperitoneal, mouse)
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Tracking categories (test):
Chemical compound
  1. "dipropylacetamide - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 24 June 2005. Identification and Related Records. Retrieved 21 February 2012.