| Revision as of 11:41, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464352380 of page Prenol for the Chem/Drugbox validation project (updated: '').← Previous edit |
Latest revision as of 14:25, 29 January 2022 edit undo119.246.116.98 (talk)No edit summary |
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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 = 464213986 |
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| verifiedrevid = 477001424 |
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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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| Name = Prenol |
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| image = L-Ascorbic_acid.svg |
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| ImageFile1 = prenol structure.png |
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| ImageSize1 = 160px |
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| width = 200px |
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| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
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| ImageName1 = Skeletal formula of prenol |
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| width2 = 200px |
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| ImageFile2 = Prenol-3D-balls.png |
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| ImageSize2 = 180px |
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<!--Clinical data--> |
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| ImageName2 = Ball-and-stick model |
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| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
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| IUPACName = 3-Methyl-2-buten-1-ol |
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| licence_EU = <!-- EMEA requires brand name --> |
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| OtherNames= 3,3-Dimethylallyl alcohol |
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| licence_US = <!-- FDA may use generic name --> |
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| Section1 = {{Chembox Identifiers |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| InChI = 1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| pregnancy_category = A |
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| StdInChI = 1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| StdInChIKey = ASUAYTHWZCLXAN-UHFFFAOYSA-N |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| CASNo = 556-82-1 |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| legal_status = general public availability |
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| EC-number = 209-141-4 |
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| routes_of_administration = oral |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 10700 |
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<!--Pharmacokinetic data--> |
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| PubChem = 11173 |
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| bioavailability = rapid & complete |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| protein_bound = negligible |
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| UNII = 55MY0HM445 |
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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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| excretion = renal |
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<!--Identifiers--> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CAS_number_Ref = {{cascite|correct|??}} |
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| CAS_number = 50-81-7 |
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| ATC_prefix = A |
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| ATC_suffix = 11G |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI = 16019 |
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| ChEBI = 29073 |
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| SMILES = OC\C=C(/C)C |
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| PubChem = 5785 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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}} |
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| DrugBank = DB00126 |
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| Section2 = {{Chembox Properties |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| Reference = <ref name="SIDS">{{SIDS-ref|id=556821|name=3-Methyl-2-buten-1-ol|date=May 2005}}.</ref> |
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| ChemSpiderID = 10189562 |
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| Formula = C<sub>5</sub>H<sub>10</sub>O |
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| NIAID_ChemDB = 002072 |
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| MolarMass = 86.132 g/mol |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| Density = 0.848 g/cm<sup>3</sup> |
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| UNII = PQ6CK8PD0R |
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| MeltingPt = −59 °C (calculated) |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| BoilingPt = approx. 142 °C |
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| KEGG = D00018 |
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| Solubility = 17 g/100 ml (20 ºC) |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| VaporPress = 3.17 hPa (25 ºC, extrapolated) |
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| LogP = 0.91 |
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| ChEMBL = 196 |
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}} |
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<!--Chemical data--> |
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| Section7 = {{Chembox Hazards |
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| chemical_formula = |
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| Reference = <ref name="SIDS"/><ref>{{citation | title = HSNO Chemical Classification Information Database | url = http://www.ermanz.govt.nz/Chemicals/ChemicalDisplay.aspx?SubstanceID=13093 | publisher = New Zealand Environmental Risk Management Agency | accessdate = 2009-08-31}}.</ref> |
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| EUIndex = not listed |
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| C=6 | H=7 | O=6 |
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| molecular_weight = 176.12 g/] |
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| GHSPictograms = {{GHS flame|Flam. Liq. 3}}{{GHS exclamation mark|Acte Tox. (oral) 4}} |
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| smiles = C((1C(=C(C(=O)O1)O)O)O)O |
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| GHSSignalWord = WARNING |
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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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| HPhrases = {{H-phrases|226|302}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| PPhrases = {{P-phrases|210|233|240|241|242|243|264|270 |301+312|303+361+353|330|370+378 |403+235|501}} |
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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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| FlashPt = 43.3 ºC (110 ºF)<ref group="note">BASF gives a value for the flash point of prenol of 51.5 ºC (125 ºF), which is used in the OECD Screening Information Data Set (SIDS): the difference in the two values does not alter the safety classification of prenol as a category 3 flammable liquid (]) or class II combustible liquid (U.S., 29 C.F.R § 1910.106, ]).</ref> |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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}} |
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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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}} |
