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Revision as of 13:10, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 463827128 of page Rosmarinic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit Revision as of 13:11, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 458447950 of page Rosuvastatin for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'DrugBank', 'ChEMBL', 'ChEBI', 'KEGG', 'StdInChI'...Next edit →
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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
| Verifiedfields = changed
| verifiedrevid = 400107534 | verifiedrevid = 458446788
| Name = Rosmarinic acid
| IUPAC_name = (3''R'',5''S'',6''E'')-7--3,5-dihydroxyhept-6-enoic acid
| ImageFile = Rosmarinic acid.png
| image = Rosuvastatin-Formulae V 1.png
| ImageSize = 200px
| width = 266
| ImageName = Rosmarinic acid
| image2 = Rosuvastatin_3D_Ball_and_Stick.png
| IUPACName =(2''R'')-2-]oxy]-3-(3,4-dihydroxyphenyl)propanoic acid

| Section1 = {{Chembox Identifiers
<!--Clinical data-->
⚫ | PubChem = 5315615
| tradename = Crestor
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| Drugs.com = {{drugs.com|monograph|crestor}}
⚫ | ChemSpiderID = 4474888
| MedlinePlus = a603033
⚫ | ChEMBL = <!-- blanked - oldvalue: 324842 -->
| pregnancy_AU = D
| InChI = 1/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+
| pregnancy_US = X
| InChIKey = DOUMFZQKYFQNTF-ZZXKWVIFBW
| pregnancy_category =
| legal_AU = S4
| legal_UK = POM
| legal_US = Rx-only
| legal_status =
| routes_of_administration = oral

<!--Pharmacokinetic data-->
| bioavailability = 20%
| metabolism = ]
| elimination_half-life = 19 h
| excretion = Urine / Faeces

<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 287714-41-4
| ATC_prefix = C10
| ATC_suffix = AA07
⚫ | PubChem = 446157
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| DrugBank = DB01098
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 21106377
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 413KH5ZJ73
| KEGG_Ref = {{keggcite|changed|kegg}}
| KEGG = <!-- blanked - oldvalue: D01915 -->
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = <!-- blanked - oldvalue: 38545 -->
| ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | ChEMBL = <!-- blanked - oldvalue: 1496 -->
| C=22 | H=28 | F=1 | N=3 | O=6 | S=1
| molecular_weight = 481.539
| smiles = O=S(=O)(N(c1nc(c(c(n1)C(C)C)/C=C/(O)C(O)CC(=O)O)c2ccc(F)cc2)C)C
| InChI = 1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
| InChIKey = BPRHUIZQVSMCRT-VEUZHWNKBK
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+ | StdInChI = 1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16?,17-/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = DOUMFZQKYFQNTF-ZZXKWVIFSA-N | StdInChIKey = BPRHUIZQVSMCRT-RUEVOVDXSA-N
⚫ | CASNo = <!-- blanked - oldvalue: 537-15-5 -->
| ChEBI = 17226
| SMILES = O=C(O)C(OC(=O)\C=C\c1ccc(O)c(O)c1)Cc2cc(O)c(O)cc2
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>18</sub>H<sub>16</sub>O<sub>8</sub>
| MolarMass = 360.31 g/mol
| ExactMass = 360.084517 u
| Density =
| MeltingPt = 171-175 °C
}}
}} }}

Revision as of 13:11, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 458447950 of page Rosuvastatin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Trade namesCrestor
AHFS/Drugs.comMonograph
MedlinePlusa603033
Pregnancy
category
  • AU: D
Routes of
administration		oral
ATC code
Legal status
Legal status
  • AU: S4 (Prescription only)
  • UK: POM (Prescription only)
  • US: ℞-only
Pharmacokinetic data
Bioavailability20%
MetabolismLiver
Elimination half-life19 h
ExcretionUrine / Faeces
Identifiers
IUPAC name
  • (3R,5S,6E)-7--3,5-dihydroxyhept-6-enoic acid
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
Chemical and physical data
FormulaC22H28FN3O6S
Molar mass481.539 g·mol
3D model (JSmol)
SMILES
  • O=S(=O)(N(c1nc(c(c(n1)C(C)C)/C=C/(O)C(O)CC(=O)O)c2ccc(F)cc2)C)C
InChI
  • InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16?,17-/m0/s1
  • Key:BPRHUIZQVSMCRT-RUEVOVDXSA-N
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