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Revision as of 19:45, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 448132366 of page Acediasulfone for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 19:45, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457799411 of page Acedoben for the Chem/Drugbox validation project (updated: 'StdInChI', 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{chembox
| Verifiedfields = changed
| verifiedrevid = 443362293 | verifiedrevid = 457798495
| IUPAC_name = 2-(amino)acetic acid
| image = Acediasulfone.png

<!--Clinical data-->
| tradename =
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category =
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
| routes_of_administration =

<!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =

<!--Identifiers-->
⚫ | CAS_number = <!-- blanked - oldvalue: 80-03-5 -->
| ATC_prefix = none
| ATC_suffix =
| ATC_supplemental =
⚫ | PubChem = 66451
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 59823
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 30YP2YHH8W | UNII = 04Z20NMK31
|Reference=<ref> at ]</ref><ref>, ChemIndustry.com</ref>
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ImageFile = Acedoben.png
⚫ | ChEMBL = 48396
| ImageName = Skeletal formula

| ImageFile1 = Acedoben-3D-balls.png
<!--Chemical data-->
| ImageName1 = Ball-and-stick model
| chemical_formula =
|IUPACName=4-Acetamidobenzoic acid
| C=14 | H=14 | N=2 | O=4 | S=1
|OtherNames=''N''-Acetyl-PABA; 4-Carboxyacetanilide; ''p''-Acetamidobenzoic acid
| molecular_weight = 306.337 g/mol
''p''-Acetaminobenzoic acid; PAAB; ''p''-Acetoaminobenzoic acid
⚫ | smiles = C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)O
|Section1={{Chembox Identifiers
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C14H14N2O4S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18) | InChI1 = 1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
| InChIKey1 = QCXJEYYXVJIFCE-UHFFFAOYSA-N
| SMILES1 = O=C(Nc1ccc(cc1)C(=O)O)C
| CASNo_Ref = {{cascite|changed|??}}
⚫ | CASNo = <!-- blanked - oldvalue: 556-08-1 -->
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | ChEMBL = 112687
⚫ | PubChem=19266
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 18177
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | DrugBank = DB04500
| SMILES = O=C(Nc1ccc(cc1)C(=O)O)C
| InChI = 1/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,​11)(H,12,13)
| InChIKey = QCXJEYYXVJIFCE-UHFFFAOYAT
⚫ | StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| StdInChI = 1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = FKKUMFTYSTZUJG-UHFFFAOYSA-N | StdInChIKey = QCXJEYYXVJIFCE-UHFFFAOYSA-N
⚫ | SMILES=CC(=O)NC1=CC=C(C=C1)C(=O)O
}}
|Section2={{Chembox Properties
| C=9|H=9|N=1|O=3
| Appearance=
| Density=
| MeltingPt=259-262 °C (dec.)
| BoilingPt=
| Solubility=
}}
|Section3={{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 19:45, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 457799411 of page Acedoben with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula
Ball-and-stick model
Names
IUPAC name 4-Acetamidobenzoic acid
Other names N-Acetyl-PABA; 4-Carboxyacetanilide; p-Acetamidobenzoic acid p-Acetaminobenzoic acid; PAAB; p-Acetoaminobenzoic acid
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
DrugBank
PubChem CID
InChI
  • InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N
  • InChI=1/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,​11)(H,12,13)Key: QCXJEYYXVJIFCE-UHFFFAOYAT
  • InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N
SMILES
  • CC(=O)NC1=CC=C(C=C1)C(=O)O
  • O=C(Nc1ccc(cc1)C(=O)O)C
Properties
Chemical formula C9H9NO3
Molar mass 179.175 g·mol
Melting point 259-262 °C (dec.)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound
  1. 4-Acetamidobenzoic acid at Sigma-Aldrich
  2. Acedoben, ChemIndustry.com