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Revision as of 16:04, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476141684 of page 1,2,3-Trichloropropane for the Chem/Drugbox validation project (updated: '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
| 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
| verifiedrevid = 456494356
| image = L-Ascorbic_acid.svg
| Name = 1,2,3-Trichloropropane
| width = 200px
| ImageFile1 = 1,2,3-trichloropropane.svg
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| ImageSize1 = 200px
| width2 = 200px
| ImageFile2 = 1,2,3-Trichloropropane-3D-balls.png

| ImageSize2 = 200px
<!--Clinical data-->
| ImageAlt =
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| ImageCaption = Trichloropropane
| licence_EU = <!-- EMEA requires brand name -->
| IUPACName = 1,2,3-Trichloropropane
| licence_US = <!-- FDA may use generic name -->
| SystematicName = Trichloropropane
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| OtherNames = TCP; Allyl trichloride; Glycerol trichlorohydrin; Trichlorohydrin
| pregnancy_US = <!-- A / B / C / D / X -->
| Section1 = {{Chembox Identifiers
| pregnancy_category = A
| Abbreviations = TCP
| CASNo = <!-- blanked - oldvalue: 96-18-4 --> | legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| CASNo_Comment =
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| CASNo_Ref = {{cascite|changed|??}}
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| CASNos =
| legal_status = general public availability
| CASOther =
| routes_of_administration = oral
| ChEMBL_Ref = {{ebicite|correct|EBI}}

| ChEMBL = 346933
<!--Pharmacokinetic data-->
| PubChem =
| bioavailability = rapid & complete
| PubChem_Comment =
| protein_bound = negligible
| PubChem5 =
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
| PubChem5_Comment =
| excretion = renal
| PubChemOther =

| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
<!--Identifiers-->
| ChemSpiderID = 7013
| CASNo_Ref = {{cascite|correct|CAS}}
| ChemSpiderID_Comment =
| CAS_number_Ref = {{cascite|correct|??}}
| ChemSpiderID5 =
| CAS_number = 50-81-7
| ChemSpiderIDOther =
| EINECS = 202-486-1 | ATC_prefix = A
| EC-number = | ATC_suffix = 11G
| ChEBI_Ref = {{ebicite|correct|EBI}}
| EINECSCASNO =
| UNNumber = | ChEBI = 29073
| PubChem = 5785
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
| DrugBank = DB00126
| KEGG_Ref = {{keggcite|correct|kegg}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| KEGG =
| ChemSpiderID = 10189562
| MeSHName =
| NIAID_ChemDB = 002072
| ChEBI_Ref = {{ebicite|correct|EBI}}
| UNII_Ref = {{fdacite|correct|FDA}}
| ChEBI =
| RTECS = | UNII = PQ6CK8PD0R
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = CFXQEHVMCRXUSD-UHFFFAOYSA-N
| SMILES =
| InChI =
| Beilstein =
| Gmelin =
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C14400 | KEGG = D00018
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| 3DMet =}}
| ChEMBL = 196
| Section2 = {{Chembox Properties

| Formula = {{chem|C|3|H|5|Cl|3}}
<!--Chemical data-->
| MolarMass = 147.43 g
| chemical_formula =
| Appearance = colorless or straw yellow transparent liquid
| C=6 | H=7 | O=6
| Density = 1.38g mol<sup>-1</sup>
| molecular_weight = 176.12 g/]
| MeltingPtC = -14
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
| Melting_notes =
| 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
| BoilingPtC = 156.85
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| Boiling_notes =
| 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
| LogP = 2.27
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| VaporPressure = 3.1
| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| HenryConstant = 4.087 x 10<sup>-4</sup>
| synonyms = <small>L</small>-ascorbic acid
| AtmosphericOHRateConstant =
| pKa = | density = 1.694
| pKb = | melting_point = 190
| boiling_point = 553
| Sheet Resistance =
| Methacrylate Equiv Wt =
| Bulk Conductivity = }}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape = }}
| Section4 = {{Chembox Thermochemistry
| Solubility = 1,750 mg/L
| SolubleOther =
| Solvent = =
| DeltaHc =
| DeltaHf
| Entropy =
| HeatCapacity = }}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass =
| EUIndex =
| MainHazards =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| LD50 =
| PEL = }}
| Section8 = {{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)