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Revision as of 11:22, 17 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,083 edits Saving copy of the {{drugbox}} taken from revid 456887022 of page Ertapenem for the Chem/Drugbox validation project (updated: 'KEGG').← Previous edit Revision as of 11:25, 17 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,083 edits Saving copy of the {{drugbox}} taken from revid 447905159 of page Esketamine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').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 = 443835182
| Verifiedfields = changed
| IUPAC_name = (''S'')-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
⚫ | verifiedrevid = 443733636
| image = S-ketamine-2D-skeletal.png
| IUPAC_name = (4''R'',5''S'',6''S'')-3-<br>pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-<br>oxo-1-azabicyclohept-2-ene-2-carboxylic acid
| image = Ertapenem.svg | width = 180
| image2 = S-ketamine-3D-balls.png
| drug_name = Ketamine


<!--Clinical data--> <!--Clinical data-->
| tradename = Invanz | tradename =
| Drugs.com = {{drugs.com|monograph|invanz}} | Drugs.com = {{drugs.com|CDI|ketamine}}
| pregnancy_AU = B3
| pregnancy_US = B
| legal_status = Rx-only
| routes_of_administration = Intramuscular, ]

<!--Pharmacokinetic data-->
| bioavailability = 90% (])
| protein_bound = Inversely proportional to concentration; 85 to 95%
| metabolism = Minor ] of ] ring, ] not involved
| elimination_half-life = 4 hours
| excretion = ] (80%) and fecal (10%)


<!--Identifiers--> <!--Identifiers-->
⚫ | CAS_number = <!-- blanked - oldvalue: 33643-46-8 -->
| CASNo_Ref = {{cascite|correct|CAS}}
| ATC_prefix = N01
| CAS_number_Ref = {{cascite|correct|??}}
| ATC_suffix = AX14
| CAS_number = 153832-46-3
| ATC_prefix = J01 | ChEMBL = 742
| ATC_suffix = DH03 | PubChem = 182137
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| PubChem = 150610
⚫ | DrugBank = DB01221
⚫ | DrugBank_Ref = {{drugbankcite|changed|drugbank}}
⚫ | DrugBank = DB00303
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 132758 | ChemSpiderID = 3689
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = G32F6EID2H | UNII = 50LFG02TXD
| KEGG_Ref = {{keggcite|changed|kegg}}
⚫ | KEGG = <!-- blanked - oldvalue: D04049 -->
| ChEBI_Ref = {{ebicite|correct|EBI}} | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 404903 | ChEBI = 6121
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 1359


<!--Chemical data--> <!--Chemical data-->
| C=22 | H=25 | N=3 | O=7 | S=1 | C=13 | H=16 | Cl=1 | N=1 | O=1
| molecular_weight = 475.516 g/mol | molecular_weight = 237.725 g/mol
| smiles = CNC1(CCCCC1=O)c2ccccc2Cl
| smiles = O=C(O)c1cc(ccc1)NC(=O)4NC(S\C3=C(\N2C(=O)((O)C)23C)C(=O)O)C4
| InChI = 1/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1 | InChI = 1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
| InChIKey = YQEZLKZALYSWHR-UHFFFAOYAB
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1 | StdInChI = 1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = JUZNIMUFDBIJCM-ANEDZVCMSA-N | StdInChIKey = YQEZLKZALYSWHR-UHFFFAOYSA-N
}} }}

Revision as of 11:25, 17 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 447905159 of page Esketamine with values updated to verified values.
Ketamine
Clinical data
AHFS/Drugs.comConsumer Drug Information
ATC code
Identifiers
IUPAC name
  • (S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
PubChem CID
DrugBank
ChemSpider
UNII
ChEBI
ChEMBL
Chemical and physical data
FormulaC13H16ClNO
Molar mass237.725 g/mol g·mol
3D model (JSmol)
SMILES
  • CNC1(CCCCC1=O)c2ccccc2Cl
InChI
  • InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
  • Key:YQEZLKZALYSWHR-UHFFFAOYSA-N
  (verify)
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