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Revision as of 20:03, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 473525944 of page Acrivastine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 20:03, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 469122282 of page Acrolein for the Chem/Drugbox validation project (updated: '').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 | Watchedfields = changed
| verifiedrevid = 457803467 | verifiedrevid = 443368117
| Name = Acrolein
| IUPAC_name = (''E'')-3-{6-pyridin-2-yl}prop-2-enoic acid
| ImageFileL1_Ref = {{chemboximage|correct|??}}
| image = Acrivastine.svg
| ImageFileL1 = Propenal.svg

| ImageSizeL1 = 120px
<!--Clinical data-->
| ImageFileR1 = Acrolein-3D-balls.png
| tradename =
| ImageSizeR1 = 120px
| Drugs.com = {{drugs.com|international|acrivastine}}
| ImageFile2 = Acrolein-3D-vdW.png
| MedlinePlus = a682619
| ImageSize2 = 120px
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| ImageName = Acrolein
| pregnancy_US = B
| IUPACName = Prop-2-enal
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| OtherNames = Acraldehyde<br />Acrylic Aldehyde<br />Allyl Aldehyde<br />Ethylene Aldehyde
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| Section1 = {{Chembox Identifiers
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| legal_US = Rx-only
| ChEBI = 15368
| routes_of_administration = oral
| SMILES = O=CC=C

| UNII_Ref = {{fdacite|correct|FDA}}
<!--Pharmacokinetic data-->
⚫ | UNII = 7864XYD3JJ
| elimination_half-life = 1.5 hours
| excretion = ]

<!--Identifiers-->
⚫ | CAS_number_Ref = {{cascite|changed|??}}
| CAS_number = <!-- blanked - oldvalue: 87848-99-5 -->
| ATC_prefix = R06
| ATC_suffix = AX18
⚫ | PubChem = 5284514
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 4447574
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
⚫ | UNII = A20F9XAI7W
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D02760 | KEGG = C01471
| InChI = 1/C3H4O/c1-2-3-4/h2-3H,1H2
| InChIKey = HGINCPLSRVDWNT-UHFFFAOYAQ
⚫ | PubChem = 7847
| IUPHAR_ligand = 2418
| SMILES1 = C=CC=O
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 1224 | ChEMBL = 721

<!--Chemical data-->
| C=22 | H=24 | N=2 | O=2
| molecular_weight = 348.438 g/mol
| smiles = O=C(O)\C=C\c3nc(\C(=C\CN1CCCC1)c2ccc(cc2)C)ccc3
| InChI = 1/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
| InChIKey = PWACSDKDOHSSQD-IUTFFREVBW
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H4O/c1-2-3-4/h2-3H,1H2
| StdInChI = 1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = PWACSDKDOHSSQD-IUTFFREVSA-N | StdInChIKey = HGINCPLSRVDWNT-UHFFFAOYSA-N
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 107-02-8
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID=7559
}}
| Section2 = {{Chembox Properties
|C=3|H=4|O=1
| Appearance = Colorless to yellow liquid.<br />Irritating odor.
| Solubility = Appreciable (> 10%)
| MeltingPt = −88&nbsp;°C (-126&nbsp;°F)
| BoilingPt = 53&nbsp;°C (127&nbsp;°F)
| Density = 0,839 g / mL
}}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| MainHazards = Highly poisonous. Causes severe irritation to exposed membranes. Extremely flammable liquid and vapor.
| NFPA-H = 4
| NFPA-R = 3
| NFPA-F = 3
| FlashPt = −26&nbsp;°C
}}
| Section8 = {{Chembox Related
| Function = alkenals
| OtherFunctn = ]<br />
]<br />
]
}}
}} }}

Revision as of 20:03, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 469122282 of page Acrolein with values updated to verified values.
Acrolein
Names
IUPAC name Prop-2-enal
Other names Acraldehyde
Acrylic Aldehyde
Allyl Aldehyde
Ethylene Aldehyde
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
IUPHAR/BPS
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2Key: HGINCPLSRVDWNT-UHFFFAOYSA-N
  • InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2Key: HGINCPLSRVDWNT-UHFFFAOYAQ
SMILES
  • O=CC=C
  • C=CC=O
Properties
Chemical formula C3H4O
Molar mass 56.064 g·mol
Appearance Colorless to yellow liquid.
Irritating odor.
Density 0,839 g / mL
Melting point −88 °C (-126 °F)
Boiling point 53 °C (127 °F)
Solubility in water Appreciable (> 10%)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Highly poisonous. Causes severe irritation to exposed membranes. Extremely flammable liquid and vapor.
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 4: Very short exposure could cause death or major residual injury. E.g. VX gasFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 3: Capable of detonation or explosive decomposition but requires a strong initiating source, must be heated under confinement before initiation, reacts explosively with water, or will detonate if severely shocked. E.g. hydrogen peroxideSpecial hazards (white): no code
4 3 3
Flash point −26 °C
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
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