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Revision as of 12:56, 15 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 472856489 of page Halichondrin_B 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.}} {{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{drugbox
| verifiedrevid = 461766224 | verifiedrevid = 477001424
| 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
| ImageFile = Halichondrin B.svg
| image = L-Ascorbic_acid.svg
| ImageSize = 250px
| width = 200px
| IUPACName = (1''S'',2''S'',2&prime;''S'',3''S'',3a''S'',3a&prime;''S'',5''R'',6''S'',7''S'',7&prime;''S'',7a''S'',7a&prime;''S'',9''S'',12''S'',14''R'',16''R'',18''S'',20''S'',22''R'',26''R'',28''S'',29''S'',30''R'',34''R'',37''S'',39''R'',40''S'',41''R'',43''R'',44''S'')-7,7&prime;,14&prime;&prime;,29&prime;&prime;-tetramethyl-8&prime;&prime;,15&prime;&prime;-dimethylidene-2-(1,3,4-trihydroxybutyl)decahydro-3&prime;''H'',32&prime;&prime;''H''-dispiropyran-5,5&prime;-furopyran-2&prime;,24&prime;&prime;-undecaoxaundecacyclo[32.9.2.1~3,40~.1~3,41~.1~6,9~.1~12,16
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
~.0~18,30~.0~20,28~.0~22,26~.0~37,44~.0~39,43~]nonatetracontan]-32&prime;&prime;-one
| width2 = 200px
| IUPACName_hidden=yes

| OtherNames =
<!--Clinical data-->
| Section1 = {{Chembox Identifiers
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| InChI = 1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32?,33+,34-,35+,36?,37+,38+,39-,40+,41-,42+,43+,44+,45-,46-,47+,49+,50+,51+,52-,53+,54+,55+,56-,57+,58+,59-,60+/m1/s1
| licence_EU = <!-- EMEA requires brand name -->
| InChIKey1 = FXNFULJVOQMBCW-CGIYHSFGSA-N
| licence_US = <!-- FDA may use generic name -->
| InChI1 = 1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32?,33+,34-,35+,36?,37+,38+,39-,40+,41-,42+,43+,44+,45-,46-,47+,49+,50+,51+,52-,53+,54+,55+,56-,57+,58+,59-,60+/m1/s1
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | CASNo_Ref = {{cascite|correct|??}}
| pregnancy_US = <!-- A / B / C / D / X -->
| CASNo =
| PubChem = | pregnancy_category = A
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
⚫ | ChemSpiderID = 10256208
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
⚫ | StdInChIKey = FXNFULJVOQMBCW-CGIYHSFGSA-N
| legal_status = general public availability
| SMILES = OCC(O)CC(O)1C2O3(C(C)2O1)C(C)4O%10(C4O3)C%11O%12(C)%13OC(=O)C8CC9O76O5(O(7O6C5)9O8)CC%15C/C(=C)(CC%14C(C)\C(=C)(C%13O%12C%11O%10)O%14)O%15
| routes_of_administration = oral
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}

| StdInChI = StdInChI_Ref = {{stdinchicite|correct|chemspider}}
<!--Pharmacokinetic data-->
| StdInChI=1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32?,33+,34-,35+,36?,37+,38+,39-,40+,41-,42+,43+,44+,45-,46-,47+,49+,50+,51+,52-,53+,54+,55+,56-,57+,58+,59-,60+/m1/s1
| bioavailability = rapid & complete
}}
| protein_bound = negligible
| Section2 = {{Chembox Properties
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
⚫ | C=60|H=86|O=19
| Appearance = | excretion = renal

| Density =
<!--Identifiers-->
| MeltingPt =
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| BoilingPt =
| CAS_number_Ref = {{cascite|correct|??}}
| Solubility =
| CAS_number = 50-81-7
}}
| ATC_prefix = A
| Section3 = {{Chembox Hazards
| MainHazards = | ATC_suffix = 11G
| ChEBI_Ref = {{ebicite|correct|EBI}}
| FlashPt =
| ChEBI = 29073
| Autoignition =
| PubChem = 5785
}}
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB00126
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 10189562
| NIAID_ChemDB = 002072
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = PQ6CK8PD0R
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D00018
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 196

<!--Chemical data-->
| chemical_formula =
⚫ | C=6 | H=7 | O=6
| molecular_weight = 176.12 g/]
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
| 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
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| 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
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| synonyms = <small>L</small>-ascorbic acid
| density = 1.694
| melting_point = 190
| boiling_point = 553
}} }}

Latest revision as of 14:25, 29 January 2022

This page contains a copy of the infobox ({{drugbox}}) taken from revid 477243833 of page Vitamin_C with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other namesL-ascorbic acid
AHFS/Drugs.comMultum Consumer Information
Pregnancy
category
  • A
Routes of
administration		oral
ATC code
Legal status
Legal status
  • general public availability
Pharmacokinetic data
Bioavailabilityrapid & complete
Protein bindingnegligible
Elimination half-lifevaries according to plasma concentration
Excretionrenal
Identifiers
IUPAC name
  • 2-Oxo-L-threo-hexono-1,4-lactone-2,3-enediol
    or
    (R)-3,4-dihydroxy-5-((S)- 1,2-dihydroxyethyl)furan-2(5H)-one
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
Chemical and physical data
FormulaC6H7O6
Molar mass176.12 g/mole g·mol
3D model (JSmol)
Density1.694 g/cm
Melting point190 °C (374 °F)
Boiling point553 °C (1,027 °F)
SMILES
  • C((1C(=C(C(=O)O1)O)O)O)O
InChI
  • InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
  • Key:CIWBSHSKHKDKBQ-JLAZNSOCSA-N
  (verify)
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