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Revision as of 13:28, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 448000094 of page SX-3228 for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 13:28, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 458658165 of page Sabinene for the Chem/Drugbox validation project (updated: '').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
| Watchedfields = changed | Verifiedfields = changed
| verifiedrevid = 401046776 | verifiedrevid = 409172245
| Reference=<ref>'']''. 5, '''IV''', 451</ref>
| IUPAC_name = (3''E'')-6-benzyl-3-(5-methoxy-1,3,4-oxadiazol-2(3''H'')-ylidene)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(3''H'')-one
| image = SX-3228.svg | Name = Sabinene
| ImageFile = Sabinene.png
| width = 140
| ImageSize = 120px

| ImageName = Sabinene
<!--Clinical data-->
| IUPACName = 4-methylene-1-(1-methylethyl)bicyclohexane
| tradename =
| Section1 = {{Chembox Identifiers
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | ChemSpiderID = 17769
| pregnancy_category =
⚫ | PubChem = 18818
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| KEGG_Ref = {{keggcite|correct|kegg}}
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| KEGG = C16777
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| InChI = 1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| InChIKey = NDVASEGYNIMXJL-UHFFFAOYAW
| legal_status =
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| routes_of_administration =
| ChEMBL = 452687

<!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =

<!--Identifiers-->
| CAS_number = <!-- blanked - oldvalue: 156364-04-4 -->
| ATC_prefix =
| ATC_suffix =
⚫ | PubChem = 5487538
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 14241619

<!--Chemical data-->
| C=18 | H=18 | N=4 | O=3
| molecular_weight = 338.361 g/mol
| smiles = COc1nnc(o1)C/3=C/C=4CN(Cc2ccccc2)CCC=4NC\3=O
| InChI = 1/C18H18N4O3/c1-24-18-21-20-17(25-18)14-9-13-11-22(8-7-15(13)19-16(14)23)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H,19,23)
| InChIKey = BZLLVTYOOJNQIF-UHFFFAOYAE
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C18H18N4O3/c1-24-18-21-20-17(25-18)14-9-13-11-22(8-7-15(13)19-16(14)23)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H,19,23) | StdInChI = 1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = BZLLVTYOOJNQIF-UHFFFAOYSA-N | StdInChIKey = NDVASEGYNIMXJL-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| synonyms = <small>5,6,7,8-tetrahydro-3-(5-methoxy-1,3,4-oxadiazol-2-yl)-6-(phenylmethyl)-1,6-naphthyridin-2(1''H'')-one</small>
| CASNo=3387-41-5
| CASOther = (±)<br /> (+) <br /> (-)
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 50027
| SMILES = C=C2C1CC1(C(C)C)CC2
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>10</sub>H<sub>16</sub>
| MolarMass = 136.23 g/mol
| Density = 0.844 g/mL at 20 °C g/cm<sup>3</sup>
| MeltingPt =
| BoilingPt = 163-164 °C
}}
}} }}

Revision as of 13:28, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 458658165 of page Sabinene with values updated to verified values.
Sabinene
Sabinene
Names
IUPAC name 4-methylene-1-(1-methylethyl)bicyclohexane
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
KEGG
PubChem CID
InChI
  • InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3Key: NDVASEGYNIMXJL-UHFFFAOYSA-N
  • InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3Key: NDVASEGYNIMXJL-UHFFFAOYAW
SMILES
  • C=C2C1CC1(C(C)C)CC2
Properties
Chemical formula C10H16
Molar mass 136.23 g/mol
Density 0.844 g/mL at 20 °C g/cm
Boiling point 163-164 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Beilstein. 5, IV, 451