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Revision as of 13:06, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456598123 of page Rolipram for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit Revision as of 13:06, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457002229 of page Rolitetracycline 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
| Verifiedfields = changed | Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 407336426 | verifiedrevid = 401044012
| IUPAC_name = (''RS'')-4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-one
| IUPAC_name = (2''Z'',4''S'',4a''S'',5a''S'',6''S'',12a''S'')-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-{hydroxymethylene}-6-methyl-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2''H'',4''H'',5''H'')-trione
| image = rolipram.svg
| image = Rolitetracycline.png
| width = 200px
| imagename = 1 : 1 mixture (racemate)
| drug_name = Rolipram


<!--Clinical data--> <!--Clinical data-->
| tradename = | tradename =
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> | pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X --> | pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category = | pregnancy_category =
| legal_AU = <!-- Unscheduled / S2 / S4 / S8 --> | legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| legal_UK = <!-- GSL / P / POM / CD --> | legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_US = <!-- OTC / Rx-only --> | legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| 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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| protein_bound = | protein_bound =
| metabolism = | metabolism =
| elimination_half-life = 1-3 h | elimination_half-life =
| excretion = | excretion =


<!--Identifiers--> <!--Identifiers-->
| CASNo_Ref = {{cascite}} | CAS_number_Ref = {{cascite|changed|??}}
⚫ | CAS_number = 751-97-3
| CAS_number_Ref = {{cascite|correct|??}}
| ATC_prefix = J01
⚫ | CAS_number = 61413-54-5
| ATC_prefix = none | ATC_suffix = AA09
| ATC_suffix = | PubChem = 5282179
⚫ | DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| ATC_supplemental =
| DrugBank = DB01301
| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 4913 | ChemSpiderID = 10469507
⚫ | ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 104872
⚫ | StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| StdInChI = 1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
⚫ | StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
⚫ | StdInChIKey = HJORMJIFDVBMOB-UHFFFAOYSA-N
| PubChem = 5092
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = <!-- blanked - oldvalue: EXPT00228 -->
| UNII_Ref = {{fdacite|changed|FDA}} | UNII_Ref = {{fdacite|changed|FDA}}
| UNII = K676NL63N7 | UNII = GH9IW85221
⚫ | KEGG_Ref = {{keggcite|changed|kegg}}
| KEGG = D02282
| ChEMBL_Ref = {{ebicite|changed|EBI}} | ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = 63 | ChEMBL = <!-- blanked - oldvalue: 1214184 -->
⚫ | C=27 | H=33 | N=3 | O=8

⚫ | molecular_weight = 527.566 g/mol
<!--Chemical data-->
| smiles = O=C(NCN1CCCC1)\C2=C(/O)(N(C)C)3CC5C(=C(\O)3(O)C2=O)\C(=O)c4c(O)cccc45(C)O
⚫ | C=16 | H=21 | N=1 | O=3
| InChI = 1/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15-,20-,26+,27-/m0/s1
⚫ | molecular_weight = 275.347 g/mol
| InChIKey = HMEYVGGHISAPJR-VQCPGFMQBB
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15-,20-,26+,27-/m0/s1
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = HMEYVGGHISAPJR-VQCPGFMQSA-N
| synonyms = <small>(2''Z'',4''S'',4a''S'',5a''S'',6''S'',12a''S'')-4-dimethylamino-6,10,11,12a-tetrahydroxy-2--6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione</small>
}} }}

Revision as of 13:06, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 457002229 of page Rolitetracycline with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other names(2Z,4S,4aS,5aS,6S,12aS)-4-dimethylamino-6,10,11,12a-tetrahydroxy-2--6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
ATC code
Identifiers
IUPAC name
  • (2Z,4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-{hydroxymethylene}-6-methyl-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
Chemical and physical data
FormulaC27H33N3O8
Molar mass527.566 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C(NCN1CCCC1)\C2=C(/O)(N(C)C)3CC5C(=C(\O)3(O)C2=O)\C(=O)c4c(O)cccc45(C)O
InChI
  • InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15-,20-,26+,27-/m0/s1
  • Key:HMEYVGGHISAPJR-VQCPGFMQSA-N
  (what is this?)  (verify)