| Revision as of 10:09, 3 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,074 edits Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey', 'CAS_number').← Previous edit |
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{{Short description|Chemical compound}} |
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{{Drugbox |
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{{Drugbox |
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| Verifiedfields = changed |
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| verifiedrevid = 458783204 |
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| IUPAC_name = 1-propyl]-1''H''-indol-5-yl]-''N''-methyl-methanesulfonamide |
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| IUPAC_name = 1-propyl]-1''H''-indol-5-yl]-''N''-methyl-methanesulfonamide |
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| image = Avitriptan.png |
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| image = Avitriptan.png |
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| image2 = Avitriptan 3D BS.png |
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<!--Clinical data--> |
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<!--Clinical data--> |
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| tradename = |
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| tradename = |
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| pregnancy_category = |
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| pregnancy_category = |
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| legal_status = |
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| legal_status = Never marketed |
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| routes_of_administration = |
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| routes_of_administration = |
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<!--Pharmacokinetic data--> |
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<!--Pharmacokinetic data--> |
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| bioavailability = |
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| bioavailability = |
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| protein_bound = |
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| protein_bound = |
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| metabolism = |
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| metabolism = |
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| elimination_half-life = |
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| elimination_half-life = |
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| excretion = |
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| excretion = |
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<!--Identifiers--> |
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<!--Identifiers--> |
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| CAS_number_Ref = {{cascite|changed|??}} |
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| CAS_number = <!-- blanked - oldvalue: 151140-96-4 --> |
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| CAS_number = 151140-96-4 |
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| ATC_prefix = |
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| ATC_suffix = |
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| ATC_prefix = none |
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| ATC_suffix = |
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| StdInChI = 1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3 |
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| ChEMBL_Ref = {{ebicite|changed|EBI}} |
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| StdInChIKey = WRZVGHXUPBWIOO-UHFFFAOYSA-N |
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| ChEMBL = 2105880 |
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| KEGG_Ref = {{keggcite|changed|kegg}} |
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| KEGG = D03014 |
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| PubChem = 133081 |
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| PubChem = 133081 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 117442 |
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| ChemSpiderID = 117442 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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<!--Chemical data--> |
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<!--Chemical data--> |
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| C=22 | H=30 | N=6 | O=3 | S=1 |
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| chemical_formula = C<sub>22</sub>H<sub>30</sub>N<sub>6</sub>O<sub>3</sub>S |
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| smiles = O=S(=O)(NC)Cc1ccc2c(c1)c(c2)CCCN4CCN(c3ncncc3OC)CC4 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| molecular_weight = 458.58 g/mol |
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| StdInChI = 1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3 |
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| smiles = O=S(=O)(NC)Cc1ccc2c(c1)c(cn2)CCCN4CCN(c3ncncc3OC)CC4 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| InChI = 1/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3 |
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| InChIKey = WRZVGHXUPBWIOO-UHFFFAOYAI |
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| StdInChIKey = WRZVGHXUPBWIOO-UHFFFAOYSA-N |
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}} |
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}} |
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'''Avitriptan''' ('''BMS-180,048''') is an anti-] ] of the ] ].<ref name="pmid9050026">{{cite journal | author = Saxena PR, De Vries P, Wang W, ''et al.'' | title = Effects of avitriptan, a new 5-HT 1B/1D receptor agonist, in experimental models predictive of antimigraine activity and coronary side-effect potential | journal = Naunyn-Schmiedeberg's Archives of Pharmacology | volume = 355 | issue = 2 | pages = 295–302 | year = 1997 | month = February | pmid = 9050026 | doi = | url = http://link.springer.de/link/service/journals/00210/bibs/7355002/73550295.htm}}</ref> It acts as a ] and ] ].<ref name="pmid9050026">{{cite journal | author = Saxena PR, De Vries P, Wang W, ''et al.'' | title = Effects of avitriptan, a new 5-HT 1B/1D receptor agonist, in experimental models predictive of antimigraine activity and coronary side-effect potential | journal = Naunyn-Schmiedeberg's Archives of Pharmacology | volume = 355 | issue = 2 | pages = 295–302 | year = 1997 | month = February | pmid = 9050026 | doi = | url = http://link.springer.de/link/service/journals/00210/bibs/7355002/73550295.htm}}</ref> It has yet to be marketed. |
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'''Avitriptan''' (]; development code '''BMS-180,048''') is an ] of the ] family which was never marketed.<ref name="pmid9050026">{{cite journal|vauthors=Saxena PR, De Vries P, Wang W |title=Effects of avitriptan, a new 5-HT 1B/1D receptor agonist, in experimental models predictive of antimigraine activity and coronary side-effect potential |journal=Naunyn-Schmiedeberg's Archives of Pharmacology |volume=355 |issue=2 |pages=295–302 |date=February 1997 |pmid=9050026 |doi=10.1007/pl00004946 |url=http://link.springer.de/link/service/journals/00210/bibs/7355002/73550295.htm |display-authors=etal |url-status=dead |archiveurl=https://web.archive.org/web/19991023052058/http://link.springer.de/link/service/journals/00210/bibs/7355002/73550295.htm |archivedate=1999-10-23 |hdl=1765/66501 |s2cid=25137165 |hdl-access=free }}</ref> It acts as a ] and ] ].<ref name="pmid9050026"/> |
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== See also == |
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* ] |
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== References == |
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{{Reflist|2}} |
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==See also== |
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{{Triptans}} |
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* ] |
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{{Serotonergics}} |
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==References== |
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{{Reflist}} |
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{{Antimigraine preparations}} |
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{{Serotonin receptor modulators}} |
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{{Piperazines}} |
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{{analgesic-stub}} |
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{{nervous-system-drug-stub}} |