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Revision as of 14:28, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 477353218 of page Bacillosamine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 14:29, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{drugbox}} taken from revid 477353269 of page Balofloxacin for the Chem/Drugbox validation project (updated: 'CAS_number').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.}} {{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{Drugbox
| Verifiedfields = changed | Verifiedfields = changed
| verifiedrevid = 460422250 | verifiedrevid = 461211442
| IUPAC_name = 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
| ImageFile = Bacillosamine.png
| image = Balofloxacin.png
| ImageSize = 200px

| IUPACName = (2''R'',3''S'',4''R'',5''R'')-2,4-Diamino-3,5-dihydroxyhexanal
<!--Clinical data-->
| OtherNames = 4-Deoxyneosamine C<br>2,4-Diamino-2,4,6-trideoxy-<small>D</small>-Glucose
| tradename =
| Section1 = {{Chembox Identifiers
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| Abbreviations =
| pregnancy_US = <!-- A / B / C / D / X -->
| CASNo_Ref = {{cascite|correct|??}}
| pregnancy_category =
| CASNo = <!-- blanked - oldvalue: 7013-45-8 -->
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| EINECS =
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| PubChem = 192835
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
| routes_of_administration =

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

<!--Identifiers-->
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = <!-- blanked - oldvalue: 127294-70-6 -->
| ATC_prefix = none
| ATC_suffix =
| ATC_supplemental =
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = 1210954
| PubChem = 65958
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = Q022B63JPM
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 167348 | ChemSpiderID = 59361
| InChI = 1/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
| SMILES = O=C(N)(O)(N)(O)C
| InChIKey = MGQLHRYJBWGORO-UHFFFAOYAR
| InChI = 1/C6H14N2O3/c1-3(10)5(8)6(11)4(7)2-9/h2-6,10-11H,7-8H2,1H3/t3-,4+,5-,6-/m1/s1
| InChIKey = UOKKJQVOZSYEJM-JGWLITMVBO
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C6H14N2O3/c1-3(10)5(8)6(11)4(7)2-9/h2-6,10-11H,7-8H2,1H3/t3-,4+,5-,6-/m1/s1 | StdInChI = 1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = UOKKJQVOZSYEJM-JGWLITMVSA-N | StdInChIKey = MGQLHRYJBWGORO-UHFFFAOYSA-N

| RTECS =
<!--Chemical data-->
| MeSHName =
| chemical_formula =
| ChEBI_Ref = {{ebicite|changed|EBI}}
| C=20 | H=24 | F=1 | N=3 | O=4
| ChEBI = 32538
| molecular_weight = 389.42 g/mol
| KEGG_Ref = {{keggcite|correct|kegg}}
| smiles = CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
| KEGG =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =}}
| Section2 = {{Chembox Properties
| Formula = C<sub>6</sub>H<sub>14</sub>N<sub>2</sub>O<sub>3</sub>
| MolarMass = 162.19
| Appearance =
| Density =
| MeltingPt =
| Melting_notes =
| BoilingPt =
| Boiling_notes =
| Solubility =
| SolubleOther =
| Solvent =
| pKa =
| pKb =
| IsoelectricPt =
| LambdaMax =
| Absorbance =
| SpecRotation =
| RefractIndex =
| Viscosity =
| Dipole = }}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape = }}
| Section4 = {{Chembox Thermochemistry
| DeltaHf =
| DeltaHc =
| Entropy =
| HeatCapacity = }}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor = }}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass =
| EUIndex =
| MainHazards =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| PEL = }}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunctn =
| Function =
| OtherCpds = }}
}} }}

Revision as of 14:29, 17 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 477353269 of page Balofloxacin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
ATC code
  • none
Identifiers
IUPAC name
  • 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID
ChemSpider
UNII
ChEMBL
Chemical and physical data
FormulaC20H24FN3O4
Molar mass389.42 g/mol g·mol
3D model (JSmol)
SMILES
  • CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
  • InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
  • Key:MGQLHRYJBWGORO-UHFFFAOYSA-N
  (what is this?)  (verify)
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