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Revision as of 09:23, 21 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 461733977 of page Ketorolac for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 09:23, 21 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 461733743 of page Huperzine_A for the Chem/Drugbox validation project (updated: 'ChEMBL', '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
⚫ | verifiedrevid = 451619690
| Verifiedfields = changed
| Name = Huperzine A
| Watchedfields = changed
| ImageFile = Huperzine A.png
⚫ | verifiedrevid = 408570178
| ImageSize = 200px
| IUPAC_name = (±)-5-benzoyl-2,3-dihydro-<br />1<u>H</u>-pyrrolizine-1-carboxylic acid,<br />2-amino-2-(hydroxymethyl)-1,3-propanediol
| ImageName = Huperzine A
| image = Ketorolac.png
| ImageFile1 = HuperzineA3d.png
| width = 250px
| ImageSize1 = 200px
| imagename = 1 : 1 mixture (racemate)
| ImageName1 = Huperzine A 3d
| drug_name = Ketorolac
| IUPACName = (1''R'',9''S'',13''E'')- 1-Amino- 13-ethylidene- 11-methyl- 6-azatricyclo trideca- 2(7),3,10- trien- 5-one

| OtherNames = HupA
<!--Clinical data-->
| Section1 = {{Chembox Identifiers
| tradename = Acular, Toradol and acular
| Drugs.com = {{drugs.com|monograph|ketorolac-tromethamine}}
| MedlinePlus = a693001
| pregnancy_AU = C
| pregnancy_US = C
| pregnancy_category =
| legal_US = Rx-only
| legal_status =
| routes_of_administration = Oral, ], ]
| licence_US = Toradol
| DailyMedID = 9090

<!--Pharmacokinetic data-->
| bioavailability = 100% (All routes)
| metabolism = ]
| elimination_half-life = 3.5-9.2 ]s, young adults;<br />4.7-8.6 hrs, elderly (mean age 72)
| excretion = ]:91.4% (mean)<br />]:6.1% (mean)

<!--Identifiers-->
⚫ | CAS_number_Ref = {{cascite|correct|??}}
⚫ | CAS_number = <!-- blanked - oldvalue: 74103-06-3 -->
| ATC_prefix = M01
| ATC_suffix = AB15
| PubChem = 3826
| DrugBank_Ref = {{drugbankcite|correct|drugbank}} | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB00465 | DrugBank = DB01928
| SMILES = C\C2=C\\3CC=1NC(=O)\C=C/C=1(N)(C2)C/3=C\C
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 3694 | ChEMBL = 395280
| ChemSpiderID = 16736021
| UNII_Ref = {{fdacite|changed|FDA}}
| InChI = 1/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
| UNII = YZI5105V0L
| InChIKey = ZRJBHWIHUMBLCN-YQEJDHNABN
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D08104
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 469

<!--Chemical data-->
| C=15 | H=13 | N=1 | O=3
| molecular_weight = 255.27 g/mol
| smiles = O=C(c1ccc2n1CCC2C(=O)O)c3ccccc3
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) | StdInChI = 1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = OZWKMVRBQXNZKK-UHFFFAOYSA-N | StdInChIKey = ZRJBHWIHUMBLCN-YQEJDHNASA-N
⚫ | CASNo_Ref = {{cascite|correct|??}}
⚫ | CASNo = <!-- blanked - oldvalue: 102518-79-6 -->
| RTECS =
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>15</sub>H<sub>18</sub>N<sub>2</sub>O
| MolarMass = 242.32 g/mol
| Appearance =
| Density =
| Solubility =
| MeltingPt = 217–219 °C
| BoilingPt =
| pKb =
}}
<!--
| </nowiki><sub>D</sub>]]
| -147° (''c'' = 0.36, ])
|-
-->
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| MainHazards =
| FlashPt =
| RPhrases =
| SPhrases =
}}
| Section8 = {{Chembox Related
| OtherCpds =
}}
}} }}

Revision as of 09:23, 21 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 461733743 of page Huperzine_A with values updated to verified values.
Huperzine A
Huperzine A
Huperzine A 3d
Names
IUPAC name (1R,9S,13E)- 1-Amino- 13-ethylidene- 11-methyl- 6-azatricyclo trideca- 2(7),3,10- trien- 5-one
Other names HupA
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
DrugBank
InChI
  • InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1Key: ZRJBHWIHUMBLCN-YQEJDHNASA-N
  • InChI=1/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1Key: ZRJBHWIHUMBLCN-YQEJDHNABN
SMILES
  • C\C2=C\\3CC=1NC(=O)\C=C/C=1(N)(C2)C/3=C\C
Properties
Chemical formula C15H18N2O
Molar mass 242.32 g/mol
Melting point 217–219 °C
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