Translations:Panthenol/1/en: Difference between revisions

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Message definition (Panthenol)
{{short description|Pair / mixture of stereoisomers}}
{{chembox
| Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 458948255
| ImageFile = Dexpanthenol.svg
| ImageCaption = <small>D</small>-panthenol
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageSize = 160
| ImageName = Stereo, skeletal formula of panthenol (R)
| PIN = 2,4-Dihydroxy-''N''-(3-hydroxypropyl)-3,3-dimethylbutanamide
| OtherNames = {{unbulleted list|Pantothenol|Pantothenyl alcohol|''N''-Pantoylpropanolamine|Bepanthen (trade name)|Dexpanthenol (<small>D</small> form)
}}
|Section1={{Chembox Identifiers
| CASNo = 16485-10-2
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo1 = 81-13-0
| CASNo1_Ref = {{cascite|correct|CAS}}
| CASNo1_Comment = <small>''R''</small>
| PubChem = 4678
| PubChem1 = 131204
| PubChem1_Comment = <small>''R''</small>
| PubChem2 = 5748487
| PubChem2_Comment = <small>''S''</small>
| ChemSpiderID = 4516
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID1 = 115991
| ChemSpiderID1_Ref = {{chemspidercite|changed|chemspider}}
| ChemSpiderID1_Comment = <small>''R''</small>
| ChemSpiderID2 = 4677984
| ChemSpiderID2_Ref = {{chemspidercite|changed|chemspider}}
| ChemSpiderID2_Comment = <small>''S''</small>
| UNII = WV9CM0O67Z
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII1_Ref = {{fdacite|correct|FDA}}
| UNII1 = 1O6C93RI7Z
| UNII1_Comment = (<small>''R''</small>)
| EINECS = 240-540-6
| KEGG = D03726
| KEGG2 = D00193
| KEGG_Ref = {{keggcite|correct|kegg}}
| MeSHName = dexpanthenol
| ChEBI = 27373
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEMBL = 1200979
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| RTECS = ES4316500
| Beilstein = 1724945, 1724947 <small>''R''</small>
| 3DMet = B00882
| SMILES = CC(C)(CO)C(O)C(=O)NCCCO
| StdInChI = 1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = SNPLKNRPJHDVJA-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
}}
|Section2={{Chembox Properties
| C=9 | H=19 | N=1 | O=4
| Appearance = Highly viscous, colourless liquid
| Density = 1.2 g mL<sup>−1</sup> (at 20&nbsp;°C)
| BoilingPtC = 118 to 120
| BoilingPt_notes = at 2.7 Pa
| MeltingPtC = 66 to 69
| MeltingPt_notes = {{contradict-inline|reason=is a viscous liquid at room temperature|date=July 2016}}
| LogP = −0.989
| pKa = 13.033
| pKb = 0.964
| RefractIndex = 1.499
| SpecRotation = +29° to +30°
}}
|Section6={{Chembox Pharmacology
| ATCCode_prefix = A11
| ATCCode_suffix = HA30
| ATC_Supplemental = {{aTC|D03|AX03}}, {{aTC|S01|XA12}}
}}
|Section7={{Chembox Hazards
| LD50 = 10,100 mg kg<sup>−1</sup> (intraperitoneal, mouse); 15,000 mg kg<sup>−1</sup> (oral, mouse)
| NFPA-H = 1
| NFPA-F = 1
| NFPA-R = 0
}}
|Section8={{Chembox Related
| OtherCompounds = {{unbulleted list|[[Arginine]]|[[Theanine]]|[[Pantothenic acid]]|[[Hopantenic acid]]}}
}}
}}
Panthenol/1/en
Stereo, skeletal formula of panthenol (R)
D-panthenol
Names
Preferred IUPAC name
2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Other names
  • Pantothenol
  • Pantothenyl alcohol
  • N-Pantoylpropanolamine
  • Bepanthen (trade name)
  • Dexpanthenol (D form)
Identifiers
3D model (JSmol)
3DMet
1724945, 1724947 R
ChEBI
ChEMBL
ChemSpider
EC Number
  • 240-540-6
KEGG
MeSH dexpanthenol
RTECS number
  • ES4316500
UNII
Properties
C9H19NO4
Molar mass 205.254 g·mol−1
Appearance Highly viscous, colourless liquid
Density 1.2 g mL−1 (at 20 °C)
Melting point 66 to 69 °C (151 to 156 °F; 339 to 342 K) [contradictory]
Boiling point 118 to 120 °C (244 to 248 °F; 391 to 393 K) at 2.7 Pa
log P −0.989
Acidity (pKa) 13.033
Basicity (pKb) 0.964
+29° to +30°
1.499
Pharmacology
A11HA30 (WHO) D03AX03 (WHO), S01XA12 (WHO)
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
1
0
Lethal dose or concentration (LD, LC):
10,100 mg kg−1 (intraperitoneal, mouse); 15,000 mg kg−1 (oral, mouse)
Related compounds
Related compounds
Tracking categories (test):
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