| Revision as of 19:45, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457799411 of page Acedoben for the Chem/Drugbox validation project (updated: 'StdInChI', 'CASNo').← 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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| Verifiedfields = changed |
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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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| verifiedrevid = 457798495 |
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| image = L-Ascorbic_acid.svg |
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| width = 200px |
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| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
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| width2 = 200px |
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<!--Clinical data--> |
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| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
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| licence_EU = <!-- EMEA requires brand name --> |
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| licence_US = <!-- FDA may use generic name --> |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| pregnancy_category = A |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| legal_status = general public availability |
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| routes_of_administration = oral |
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<!--Pharmacokinetic data--> |
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| bioavailability = rapid & complete |
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| protein_bound = negligible |
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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 = 29073 |
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| PubChem = 5785 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| DrugBank = DB00126 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 10189562 |
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| NIAID_ChemDB = 002072 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = 04Z20NMK31 |
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| UNII = PQ6CK8PD0R |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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|Reference=<ref> at ]</ref><ref>, ChemIndustry.com</ref> |
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| KEGG = D00018 |
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| ImageFile = Acedoben.png |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ImageName = Skeletal formula |
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| ChEMBL = 196 |
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| ImageFile1 = Acedoben-3D-balls.png |
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| ImageName1 = Ball-and-stick model |
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<!--Chemical data--> |
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|IUPACName=4-Acetamidobenzoic acid |
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| chemical_formula = |
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|OtherNames=''N''-Acetyl-PABA; 4-Carboxyacetanilide; ''p''-Acetamidobenzoic acid |
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| C=6 | H=7 | O=6 |
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''p''-Acetaminobenzoic acid; PAAB; ''p''-Acetoaminobenzoic acid |
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| molecular_weight = 176.12 g/] |
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|Section1={{Chembox Identifiers |
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| smiles = C((1C(=C(C(=O)O1)O)O)O)O |
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| InChI1 = 1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) |
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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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| InChIKey1 = QCXJEYYXVJIFCE-UHFFFAOYSA-N |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| SMILES1 = O=C(Nc1ccc(cc1)C(=O)O)C |
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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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| CASNo_Ref = {{cascite|changed|??}} |
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| CASNo = <!-- blanked - oldvalue: 556-08-1 --> |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 112687 |
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| PubChem=19266 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 18177 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| DrugBank = DB04500 |
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| SMILES = O=C(Nc1ccc(cc1)C(=O)O)C |
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| InChI = 1/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) |
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| InChIKey = QCXJEYYXVJIFCE-UHFFFAOYAT |
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| StdInChI_Ref = {{stdinchicite|changed|chemspider}} |
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| StdInChI = 1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = QCXJEYYXVJIFCE-UHFFFAOYSA-N |
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| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
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| synonyms = <small>L</small>-ascorbic acid |
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| SMILES=CC(=O)NC1=CC=C(C=C1)C(=O)O |
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| density = 1.694 |
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}} |
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| melting_point = 190 |
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|Section2={{Chembox Properties |
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| boiling_point = 553 |
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| C=9|H=9|N=1|O=3 |
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| Appearance= |
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| Density= |
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| MeltingPt=259-262 °C (dec.) |
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| BoilingPt= |
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| Solubility= |
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}} |
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|Section3={{Chembox Hazards |
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| MainHazards= |
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| FlashPt= |
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| Autoignition= |
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}} |
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}} |
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}} |
