| 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 |
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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|drugbox}}) taken from revid of page ] with values updated to verified values.}} |
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{{Chembox |
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{{drugbox |
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| verifiedrevid = 477001424 |
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| ImageFile = Mechlorethamine.png |
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| IUPAC_name = 2-Oxo-<small>L</small>-threo-hexono-1,4-lactone-2,3-enediol<br />''or''<br />(''R'')-3,4-dihydroxy-5-((''S'')- 1,2-dihydroxyethyl)furan-2(5''H'')-one |
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| ImageFile_Ref = {{chemboximage|correct|??}} |
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| image = L-Ascorbic_acid.svg |
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| ImageSize = 160 |
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| width = 200px |
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| ImageName = Skeletal formula of mechlorethamine |
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| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
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| IUPACName = 2-Chloro-''N''-(2-chloroethyl)-''N''-methyl-ethanamine{{Citation needed|date=February 2012}} |
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| width2 = 200px |
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| Section1 = {{Chembox Identifiers |
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| CASNo = 51-75-2 |
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<!--Clinical data--> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
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| PubChem = 4033 |
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| licence_EU = <!-- EMEA requires brand name --> |
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| PubChem_Ref = {{Pubchemcite|correct|Pubchem}} |
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| licence_US = <!-- FDA may use generic name --> |
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| ChemSpiderID = 3893 |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| UNII = 50D9XSG0VR |
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| pregnancy_category = A |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| EINECS = 200-120-5 |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| DrugBank = DB00888 |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| KEGG = <!-- blanked - oldvalue: D0767 --> |
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| legal_status = general public availability |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| routes_of_administration = oral |
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| MeSHName = Mechlorethamine |
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| ChEBI = 28925 |
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<!--Pharmacokinetic data--> |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| bioavailability = rapid & complete |
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| ChEMBL = 427 |
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| protein_bound = negligible |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores --> |
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| ATCCode_prefix = D08 |
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| excretion = renal |
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| ATCCode_suffix = AX04 |
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| ATC_Supplemental = {{ATC|L01|AA05}} |
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<!--Identifiers--> |
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| SMILES = CN(CCCl)CCCl |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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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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| CAS_number_Ref = {{cascite|correct|??}} |
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| CAS_number = 50-81-7 |
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| StdInChIKey = HAWPXGHAZFHHAD-UHFFFAOYSA-N |
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| ATC_prefix = A |
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| StdInChIKey_Ref = {{chemspidercite|correct|chemspider}} |
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| ATC_suffix = 11G |
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}} |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| Section2 = {{Chembox Properties |
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| ChEBI = 29073 |
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| Formula = {{Chem|C|5|NH|11|Cl|2}} |
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| PubChem = 5785 |
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| MolarMass = 156.054 g mol<sup>−1</sup> |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| ExactMass = 155.026854771 g mol<sup>−1</sup> |
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| LogP = 0.91 |
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| DrugBank = DB00126 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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}} |
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| ChemSpiderID = 10189562 |
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| Section3 = {{Chembox Pharmacology |
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| NIAID_ChemDB = 002072 |
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| AdminRoutes = {{Unbulleted list|Intracavitary|Intrapericardially|Intravenous|Topical}} |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| HalfLife = <1 minute |
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| UNII = PQ6CK8PD0R |
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| Excretion = 50% (urine) |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| Legal_status = Rx |
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| PregCat_US = D |
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| KEGG = D00018 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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}} |
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| ChEMBL = 196 |
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| Section4 = {{Chembox Related |
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| Function = alkanylamines |
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<!--Chemical data--> |
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| OtherFunctn = {{Unbulleted list|]|]}} |
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| chemical_formula = |
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}} |
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| C=6 | H=7 | O=6 |
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| molecular_weight = 176.12 g/] |
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| smiles = C((1C(=C(C(=O)O1)O)O)O)O |
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| InChI = 1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
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| synonyms = <small>L</small>-ascorbic acid |
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| density = 1.694 |
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| melting_point = 190 |
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| boiling_point = 553 |
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}} |
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}} |
