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Revision as of 18:41, 9 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 444131311 of page Tanomastat for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').← 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 = 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
| image = L-Ascorbic_acid.svg
| width = 200px
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| width2 = 200px

<!--Clinical data-->
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| licence_EU = <!-- EMEA requires brand name -->
| licence_US = <!-- FDA may use generic name -->
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category = A
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status = general public availability
| routes_of_administration = oral

<!--Pharmacokinetic data-->
| bioavailability = rapid & complete
| protein_bound = negligible
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
| excretion = renal

<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 50-81-7
| ATC_prefix = A
| ATC_suffix = 11G
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 29073
⚫ | 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_Ref = {{fdacite|correct|FDA}}
| UNII = AM1ZX94EXH | UNII = PQ6CK8PD0R
| KEGG_Ref = {{keggcite|correct|kegg}}
| ImageFile = Tanomastat.svg
| ImageSize = | KEGG = D00018
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| IUPACName = 4-(4'-chlorobiphenyl-4-yl)-4-oxo-2-butanoic acid
| OtherNames = | ChEMBL = 196

| Section1 = {{Chembox Identifiers
<!--Chemical data-->
| InChI = 1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)
| chemical_formula =
| InChIKey1 = JXAGDPXECXQWBC-UHFFFAOYSA-N
| C=6 | H=7 | O=6
| InChI1 = 1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)
| molecular_weight = 176.12 g/]
| CASNo =
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
| Beilstein = 10706708
| 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
| ChEMBL = 83616
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | PubChem = 177347
| 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
⚫ | ChemSpiderID = 154422
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = JXAGDPXECXQWBC-UHFFFAOYSA-N | StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| SMILES = Clc3ccc(c2ccc(C(=O)CC(C(=O)O)CSc1ccccc1)cc2)cc3
| synonyms = <small>L</small>-ascorbic acid
| StdInChI = 1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)
| density = 1.694
}}
| melting_point = 190
| Section2 = {{Chembox Properties
| boiling_point = 553
| Formula = |C=23|H=19|Cl=1|O=3|S=1|
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| Autoignition =
}}
}} }}

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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