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Revision as of 17:57, 9 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 468056847 of page Sterigmatocystin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG', 'StdInChI', 'StdInChIKey', 'CASNo').← 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
| ImageFile = Sterigmatocystin.png
| 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
| ImageSize = 200
| image = L-Ascorbic_acid.svg
| IUPACName = (3a''R'',12c''S'')-8-hydroxy-6-methoxy-3a,12c-dihydro-7''H''-furofuroxanthen-7-one
| width = 200px
| OtherNames = Sterigmatocystin
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| Section1 = {{Chembox Identifiers
| Abbreviations = | width2 = 200px

| CASNo = <!-- blanked - oldvalue: 10048-13-2 -->
<!--Clinical data-->
| EINECS =
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| PubChem =
| licence_EU = <!-- EMEA requires brand name -->
| ChemSpiderID = 4447522
| licence_US = <!-- FDA may use generic name -->
| StdInChI = 1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| StdInChIKey = UTSVPXMQSFGQTM-UHFFFAOYSA-N
| pregnancy_US = <!-- A / B / C / D / X -->
| SMILES = COC1=C2C(=C34C=CO4OC3=C1)OC5=C(C2=O)C(=CC=C5)O
| InChI = | pregnancy_category = A
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| RTECS =
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| ChEBI =
| ChEMBL = <!-- blanked - oldvalue: 524291 --> | 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 = PQ6CK8PD0R
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = <!-- blanked - oldvalue: C00961 --> | KEGG = D00018
| ChEMBL_Ref = {{ebicite|correct|EBI}}
}}
| ChEMBL = 196
| Section2 = {{Chembox Properties

|C=18|H=12|O=6
<!--Chemical data-->
| MolarMass = 324.28 g/mol
| chemical_formula =
| ExactMass = 324.063388 u
| Appearance = | C=6 | H=7 | O=6
| molecular_weight = 176.12 g/]
| Density =
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
| MeltingPt =
| 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
| BoilingPt =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| Solubility =
| 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
| SolubleOther =
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| Solvent =
| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| pKa =
| synonyms = <small>L</small>-ascorbic acid
| pKb =
| IsoelectricPt = | density = 1.694
| SpecRotation = | melting_point = 190
| RefractIndex = | boiling_point = 553
| Viscosity =
| Dipole = }}
| Section5 = {{Chembox Pharmacology
| ATCCode =
| Bioavail =
| Metabolism =
| HalfLife =
| Excretion =
| PregCat =
| AdminRoutes = }}
| Section7 = {{Chembox Hazards
| EUClass =
| MainHazards =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| PEL = }}
| Section9 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunctn =
| Function =
| OtherCpds = }}
}} }}

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)