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Revision as of 10:44, 17 February 2012 editBeetstra (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').← Previous edit Revision as of 10:45, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 465948585 of page AL-37350A 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|drugbox}}) 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.}}
{{Drugbox {{Drugbox
| verifiedrevid = 375211715 | verifiedrevid = 462572977
| IUPAC_name = (S)-(4-fluorophenyl)-(3--oxadiazol-5-yl]piperidin-1-yl)methanone | IUPAC_name = (''S'')-(+)-1-(2-Aminopropyl)-8,9-dihydropyranoindole
| image = ADX-47273_structure.png | image = AL-37350A_structure.png
| width = 200 | width = 140


<!--Clinical data--> <!--Clinical data-->
| tradename = | tradename =
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> | pregnancy_AU =
| pregnancy_US = <!-- A / B / C / D / X --> | pregnancy_US =
| pregnancy_category = | pregnancy_category =
⚫ | legal_AU =
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| legal_CA =
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK =
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| legal_US =
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status = | legal_status =
| routes_of_administration = | routes_of_administration =
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<!--Identifiers--> <!--Identifiers-->
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = | CAS_number =
| ATC_prefix = | ATC_prefix =
| ATC_suffix = | ATC_suffix =
| ChEMBL = 381055 | ChEMBL = 133455
| PubChem = 11383075 | PubChem = 10331436
| IUPHAR_ligand = 1420 | IUPHAR_ligand = 160
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | DrugBank =
| ChemSpiderID = 9557988 | ChemSpiderID = 8506896
| SMILES = Fc1ccc(cc1)C(=O)N4CCC(c2nc(no2)c3ccc(F)cc3)C4 | SMILES = O2c1ccc3c(c1CCC2)c(cn3)C(N)C
| 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 | InChI = 1/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3/t9-/m0/s1
| InChIKey = VXQCCZHCFBHTTD-HNNXBMFYBQ | InChIKey = VVHJUSGIUWQPIT-VIFPVBQEBB
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| 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
| StdInChI = 1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3/t9-/m0/s1
⚫ | StdInChIKey = VXQCCZHCFBHTTD-HNNXBMFYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = VVHJUSGIUWQPIT-VIFPVBQESA-N


<!--Chemical data--> <!--Chemical data-->
| C=20 | H=17 | F=2 | N=3 | O=2 | C=14 | H=18 | N=2 | O=1
| molecular_weight = 369.364 g/mol | molecular_weight = 230.305 g/mol
| smiles = c4cc(F)ccc4-c3nc(on3)C(C2)CCCN2C(=O)c1ccc(F)cc1 | smiles = CC(N)Cc3cnc2ccc1OCCCc1c23
| melting_point =
| melting_high =
}} }}

Revision as of 10:45, 17 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 465948585 of page AL-37350A with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
IUPAC name
  • (S)-(+)-1-(2-Aminopropyl)-8,9-dihydropyranoindole
PubChem CID
IUPHAR/BPS
ChemSpider
ChEMBL
Chemical and physical data
FormulaC14H18N2O
Molar mass230.305 g/mol g·mol
3D model (JSmol)
SMILES
  • O2c1ccc3c(c1CCC2)c(cn3)C(N)C
InChI
  • InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3/t9-/m0/s1
  • Key:VVHJUSGIUWQPIT-VIFPVBQESA-N
  (verify)