| Revision as of 11:44, 6 March 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 479948831 of page Mechlorethamine for the Chem/Drugbox validation project (updated: 'KEGG').← Previous edit |
Revision as of 11:57, 6 March 2012 edit undoBeetstra (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').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.}} |
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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.}} |
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{{Chembox |
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{{Chembox |
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| ImageFile = Mechlorethamine.png |
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| ImageFile = Phenethyl isothiocyanate.svg |
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| ImageSize = 200px |
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| ImageFile_Ref = {{chemboximage|correct|??}} |
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| IUPACName = (2-Isothiocyanatoethyl)benzene |
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| ImageSize = 160 |
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| OtherNames = Phenylethyl isothiocyanate; Phenethyl mustard oil |
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| ImageName = Skeletal formula of mechlorethamine |
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| IUPACName = 2-Chloro-''N''-(2-chloroethyl)-''N''-methyl-ethanamine{{Citation needed|date=February 2012}} |
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| Section1 = {{Chembox Identifiers |
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| Section1 = {{Chembox Identifiers |
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| CASNo = 51-75-2 |
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| Abbreviations = PEITC |
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| CASNo = <!-- blanked - oldvalue: 2257-09-2 --> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo_Ref = {{cascite|correct|}} |
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| PubChem = 4033 |
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| ChEMBL = 151649 |
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| PubChem_Ref = {{Pubchemcite|correct|Pubchem}} |
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| ChemSpiderID = 3893 |
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| ChEBI = 351346 |
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| PubChem = 16741 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| UNII = 50D9XSG0VR |
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| ChemSpiderID = 15870 |
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| SMILES = S=C=N/CCc1ccccc1 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| InChI = 1/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
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| EINECS = 200-120-5 |
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| InChIKey = IZJDOKYDEWTZSO-UHFFFAOYAB |
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| DrugBank = DB00888 |
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| StdInChI = 1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| StdInChIKey = IZJDOKYDEWTZSO-UHFFFAOYSA-N |
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| KEGG = <!-- blanked - oldvalue: D0767 --> |
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}} |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| MeSHName = Mechlorethamine |
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| ChEBI = 28925 |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 427 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ATCCode_prefix = D08 |
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| ATCCode_suffix = AX04 |
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| ATC_Supplemental = {{ATC|L01|AA05}} |
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| SMILES = CN(CCCl)CCCl |
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| StdInChI = 1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3 |
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| StdInChI_Ref = {{chemspidercite|correct|chemspider}} |
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| StdInChIKey = HAWPXGHAZFHHAD-UHFFFAOYSA-N |
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| StdInChIKey_Ref = {{chemspidercite|correct|chemspider}} |
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}} |
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| Section2 = {{Chembox Properties |
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| Section2 = {{Chembox Properties |
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| C=9|H=9|N=1|S=1 |
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| Formula = {{Chem|C|5|NH|11|Cl|2}} |
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| Appearance = |
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| MolarMass = 156.054 g mol<sup>−1</sup> |
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| Density = |
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| ExactMass = 155.026854771 g mol<sup>−1</sup> |
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| LogP = 0.91 |
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| MeltingPt = |
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| BoilingPt = |
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| Solubility = |
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| Section3 = {{Chembox Pharmacology |
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}} |
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| AdminRoutes = {{Unbulleted list|Intracavitary|Intrapericardially|Intravenous|Topical}} |
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| Section3 = {{Chembox Hazards |
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| HalfLife = <1 minute |
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| Excretion = 50% (urine) |
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| MainHazards = |
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| Legal_status = Rx |
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| FlashPt = |
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| PregCat_US = D |
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| Autoignition = |
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}} |
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| Section4 = {{Chembox Related |
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| Function = alkanylamines |
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| OtherFunctn = {{Unbulleted list|]|]}} |
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}} |
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}} |
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}} |
