| Revision as of 09:30, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464225641 of page Nicotinamide_adenine_dinucleotide for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'KEGG').← 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 = 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 = 458942238 |
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| ImageFile = NAD+ phys.svg |
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| image = L-Ascorbic_acid.svg |
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| ImageSize = 180px |
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| width = 200px |
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| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
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| ImageName = Skeletal formula of the oxidized form |
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| width2 = 200px |
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| ImageFile1 = NAD-3D-balls.png |
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| ImageSize1 = 200px |
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<!--Clinical data--> |
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| ImageName1 = Ball-and-stick model of the oxidized form |
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| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
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| IUPACName = |
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| licence_EU = <!-- EMEA requires brand name --> |
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| OtherNames = Diphosphopyridine nucleotide (DPN{{+}}), Coenzyme I |
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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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| UNII_Ref = {{fdacite|correct|FDA}} |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| UNII = 0U46U6E8UK |
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| pregnancy_category = A |
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| InChI = 1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| InChIKey = BAWFJGJZGIEFAR-NNYOXOHSBR |
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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 = PQ6CK8PD0R |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = D00018 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 196 |
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<!--Chemical data--> |
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| chemical_formula = |
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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_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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| StdInChI = 1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = BAWFJGJZGIEFAR-NNYOXOHSSA-N |
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| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
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| synonyms = <small>L</small>-ascorbic acid |
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| CASNo = 53-84-9 |
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| density = 1.694 |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| melting_point = 190 |
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| CASOther = <br/>58-68-4 (NADH)<!--also verified--> |
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| boiling_point = 553 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 5681 |
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| PubChem = 925 |
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| ChEMBL_Ref = {{ebicite|changed|EBI}} |
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| ChEMBL = <!-- blanked - oldvalue: 1628272 --> |
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| IUPHAR_ligand = 2451 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| DrugBank = DB00157 |
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| SMILES = O=C(N)c1ccc(c1)2O((O)2O)COP()(=O)OP(=O)(O)OC5O(n4cnc3c(ncnc34)N)(O)5O |
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| MeSHName = |
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| KEGG_Ref = {{keggcite|changed|kegg}} |
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| KEGG = C00004 |
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| ChEBI_Ref = {{ebicite|changed|EBI}} |
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| ChEBI = 44215 |
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| RTECS = UU3450000 |
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}} |
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| Section2 = {{Chembox Properties |
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| Formula = C{{sub|21}}H{{sub|27}}N{{sub|7}}O{{sub|14}}P{{sub|2}} |
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| MolarMass = 663.43 g/mol |
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| Appearance = White powder |
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| Density = |
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| MeltingPt = 160 °C |
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| Solubility = |
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}} |
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| Section7 = {{Chembox Hazards |
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| MainHazards = Not hazardous |
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| NFPA-H = 1 |
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| NFPA-F = 1 |
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| NFPA-R = 0 |
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| FlashPt = |
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| Autoignition = |
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}} |
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}} |
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}} |
