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Revision as of 14:23, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 460514169 of page Siplizumab for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 14:23, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 464037189 of page Sirolimus for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEBI').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
| Verifiedfields = changed | Verifiedfields = changed
| verifiedrevid = 447733790 | verifiedrevid = 458658455
| IUPAC_name = (3''S'',6''R'',7''E'',9''R'',10''R'',12''R'',14''S'',15''E'',17''E'',19''E'',21''S'',23''S'',<br>26''R'',27''R'',34a''S'')-9,10,12,13,14,21,22,23,24,25,26,<br>27,32,33,34,34a-hexadecahydro-9,27-dihydroxy-3-<br>-<br>1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-<br>hexamethyl-23,27-epoxy-3''H''-pyrido-<br>oxaazacyclohentriacontine-1,5,11,28,29<br>(4''H'',6''H'',31''H'')-pentone

| image = Sirolimus.svg
<!--Monoclonal antibody data-->
| type = mab | width = 250
| image2 = Sirolimus-from-1C9H-3D-sticks.png
| mab_type = mab
| source = zu/a | width2 = 250
| CASNo_Ref = {{cascite|correct|CAS}}
| target = ]
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}

⚫ | ChemSpiderID = 10482078
<!--Clinical data-->
| UNII_Ref = {{fdacite|correct|FDA}}
| tradename =
| UNII = W36ZG6FT64
⚫ | pregnancy_AU =
| ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | pregnancy_US =
| ChEBI_Ref = {{ebicite|changed|EBI}}
| pregnancy_category =
| ChEBI = <!-- blanked - oldvalue: 9168 -->
| legal_AU =
| InChI = 1/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
| legal_CA =
| InChIKey = QFJCIRLUMZQUOT-HPLJOQBZBU
| legal_UK =
| smiles = O1CC(C1OC)C(C)4CC(=O)(C)/C=C(\C)(O)(OC)C(=O)(C)C(C)\C=C\C=C\C=C(/C)(OC)C2CC(C)(O)(O2)C(=O)C(=O)N3CCCC3C(=O)O4
⚫ | legal_US =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| legal_status =
| StdInChI = 1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
⚫ | routes_of_administration =
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}

| StdInChIKey = QFJCIRLUMZQUOT-HPLJOQBZSA-N
<!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
⚫ | metabolism =
⚫ | elimination_half-life =
⚫ | excretion =

<!--Identifiers-->
⚫ | ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
⚫ | ChemSpiderID = NA
| CAS_number_Ref = {{cascite|correct|??}} | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = <!-- blanked - oldvalue: 288392-69-8 --> | CAS_number = 53123-88-9
| ATC_prefix = none | ATC_prefix = L04
| ATC_suffix = | ATC_suffix = AA10
| PubChem = | ATC_supplemental =
| ChEMBL = 413
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = | PubChem = 5284616
⚫ | DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| DrugBank = DB00877
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D05847 | KEGG = D00753
| C = 51 | H = 79 | N = 1 | O = 13

| molecular_weight = 914.172 g/mol
<!--Chemical data-->
| bioavailability = 20%, less after eating food rich in fat
| chemical_formula =
| molecular_weight = | protein_bound = 92%
⚫ | metabolism = Hepatic
⚫ | elimination_half-life = 57–63 hours
| licence_EU = Rapamune
| licence_US = Sirolimus
⚫ | pregnancy_AU = C
⚫ | pregnancy_US = C
⚫ | legal_US = Rx-only
⚫ | routes_of_administration = Oral
⚫ | excretion = Mostly faecal
}} }}

Revision as of 14:23, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 464037189 of page Sirolimus with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
License data
Pregnancy
category
  • AU: C
Routes of
administration		Oral
ATC code
Legal status
Legal status
Pharmacokinetic data
Bioavailability20%, less after eating food rich in fat
Protein binding92%
MetabolismHepatic
Elimination half-life57–63 hours
ExcretionMostly faecal
Identifiers
IUPAC name
  • (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,
    26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,
    27,32,33,34,34a-hexadecahydro-9,27-dihydroxy-3-
    -
    1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-
    hexamethyl-23,27-epoxy-3H-pyrido-
    oxaazacyclohentriacontine-1,5,11,28,29
    (4H,6H,31H)-pentone
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEMBL
Chemical and physical data
FormulaC51H79NO13
Molar mass914.172 g/mol g·mol
3D model (JSmol)
SMILES
  • O1CC(C1OC)C(C)4CC(=O)(C)/C=C(\C)(O)(OC)C(=O)(C)C(C)\C=C\C=C\C=C(/C)(OC)C2CC(C)(O)(O2)C(=O)C(=O)N3CCCC3C(=O)O4
InChI
  • InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
  • Key:QFJCIRLUMZQUOT-HPLJOQBZSA-N
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