| Revision as of 10:43, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464205168 of page A-86929 for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit |
Revision as of 10:44, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 462577638 of page ADX-47273 for the Chem/Drugbox validation project (updated: 'ChEMBL').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.}} |
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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.}} |
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{{chembox |
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{{Drugbox |
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| verifiedrevid = 445125229 |
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| verifiedrevid = 375211715 |
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| IUPAC_name = (S)-(4-fluorophenyl)-(3--oxadiazol-5-yl]piperidin-1-yl)methanone |
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|ImageFile=A-86929_structure.png |
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| image = ADX-47273_structure.png |
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|ImageSize=200px |
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| width = 200 |
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|IUPACName=9,10-Dihydroxy-2-propyl-4,5,5a(R),6,7,11b(S)-hexahydrobenzothienoquinoline |
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|OtherNames= |
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<!--Clinical data--> |
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|Section1= {{Chembox Identifiers |
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| tradename = |
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| CASNo = <!-- blanked - oldvalue: 166591-11-3 --> |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| SMILES=Oc1cc3c(cc1O)CCC4C3c2cc(CCC)sc2CN4 |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| ChEMBL = 28338 |
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| pregnancy_category = |
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| PubChem = 9841398 |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| ChemSpiderID = 8017113 |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| InChI = 1/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1 |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| InChIKey = REHAKLRYABHSQJ-KDOFPFPSBO |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| StdInChI = 1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1 |
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| legal_status = |
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| StdInChIKey = REHAKLRYABHSQJ-KDOFPFPSSA-N |
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| routes_of_administration = |
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}} |
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|Section2= {{Chembox Properties |
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<!--Pharmacokinetic data--> |
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| Formula=C<sub>18</sub>H<sub>21</sub>NO<sub>2</sub>S |
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| bioavailability = |
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| MolarMass=315.429 g/mol |
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| protein_bound = |
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| metabolism = |
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| excretion = |
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<!--Identifiers--> |
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}} |
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| CAS_number = |
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|Section3= {{Chembox Hazards |
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| ATC_prefix = |
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| MainHazards= |
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| ATC_suffix = |
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| FlashPt= |
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| ChEMBL = 381055 |
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| Autoignition= |
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| PubChem = 11383075 |
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}} |
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| IUPHAR_ligand = 1420 |
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| DrugBank = |
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| ChemSpiderID = 9557988 |
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| SMILES = Fc1ccc(cc1)C(=O)N4CCC(c2nc(no2)c3ccc(F)cc3)C4 |
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| InChI = 1/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1 |
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| InChIKey = VXQCCZHCFBHTTD-HNNXBMFYBQ |
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| StdInChI = 1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1 |
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| StdInChIKey = VXQCCZHCFBHTTD-HNNXBMFYSA-N |
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<!--Chemical data--> |
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| C=20 | H=17 | F=2 | N=3 | O=2 |
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| molecular_weight = 369.364 g/mol |
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| smiles = c4cc(F)ccc4-c3nc(on3)C(C2)CCCN2C(=O)c1ccc(F)cc1 |
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}} |
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}} |
