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Revision as of 16:25, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457127254 of page 1,3-Propanedithiol for the Chem/Drugbox validation project (updated: 'ChEMBL').← 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
| Verifiedfields = changed
| 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
| Watchedfields = changed
| image = L-Ascorbic_acid.svg
⚫ | verifiedrevid = 456364861
| width = 200px
| Name = 1,3-Propanedithiol
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| ImageFile = H2pdt.png
| ImageSize = 100px | width2 = 200px

| ImageName = 1,3-Propanedithiol
<!--Clinical data-->
| IUPACName = Propane-1,3-dithiol
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| OtherNames = 1,3-dimercaptopropane
| licence_EU = <!-- EMEA requires brand name -->
| Section1 = {{Chembox Identifiers
| licence_US = <!-- FDA may use generic name -->
| SMILES = SCCCS
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| 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_Ref = {{ebicite|correct|EBI}}
| ChEBI = 44864 | ChEBI = 29073
| PubChem = 5785
⚫ | ChemSpiderID = 13848090
| ChEMBL_Ref = {{ebicite|changed|EBI}} | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB00126
| ChEMBL = <!-- blanked - oldvalue: 1235209 -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| InChI = 1/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
⚫ | ChemSpiderID = 10189562
| InChIKey = ZJLMKPKYJBQJNH-UHFFFAOYAS
| 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_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2 | 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_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = ZJLMKPKYJBQJNH-UHFFFAOYSA-N | StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| synonyms = <small>L</small>-ascorbic acid
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 109-80-8 | density = 1.694
| melting_point = 190
| RTECS = TZ2585500
| boiling_point = 553
}}
| Section2 = {{Chembox Properties
⚫ | C=3|H=8|S=2
| Appearance = Colorless liquid
| Density = 1.078 g/cm³
| Solubility = slight
| Solvent = solvents
| SolubleOther = all organic solvents
| MeltingPtC = -79
| BoilingPtC = 169
| pKb =
| RefractIndex = 1.539
}}
| Section3 = {{Chembox Structure
| Dipole = 0 ]
}}
| Section7 = {{Chembox Hazards
| MainHazards = stench
| FlashPt = 138 °F
| RPhrases = {{R36/37/38}}
| SPhrases = {{S26}}
}}
| Section8 = {{Chembox Related
| OtherCpds = ]<br />]<br />]
}}
}} }}

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)