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Revision as of 11:08, 21 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,077 edits Saving copy of the {{chembox}} taken from revid 461496664 of page Setrobuvir for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit Revision as of 11:23, 21 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,077 edits Saving copy of the {{drugbox}} taken from revid 461468732 of page Pralatrexate 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|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
| verifiedrevid = 461494827 | verifiedrevid = 400859808
| Reference = <ref></ref>
| IUPAC_name = ''N''-(4-{1-but-3-yn-1-yl}benzoyl)-<small>L</small>-glutamic acid
| ImageFile = Setrobuvir.svg
| image = Pralatrexate.png
| ImageSize =200px

| ImageAlt =
<!--Clinical data-->
| IUPACName = ''N''-(3-{(1''R'',2''S'',7''R'',8''S'')-3--6-hydroxy-4-oxo-3-azatricyclo undec-5-en-5-yl}-1,1-dioxo-1,4-dihydro-1λ6,2,4-benzothiadiazin-7- yl)methanesulfonamide
| IUPACName_hidden = yes | tradename =
| Drugs.com = {{drugs.com|monograph|pralatrexate}}
| OtherNames = ANA-598; ANA598
| licence_US = Pralatrexate
| Section1 = {{Chembox Identifiers
| CASNo = <!-- blanked - oldvalue: 1214735-09-7 --> | pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | CASNo_Ref = {{cascite|correct|??}}
| pregnancy_category = D
| CASNo1 = 1071517-39-9
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| CASNo1_Ref = {{cascite|correct|}}
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| ChEMBL = 1076263
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| PubChem =
| legal_US = Rx-only
| SMILES = CS(NC(C=C1)=CC2=C1NC(C3=C(O)4()(5CC4C5)()N(CC6=CC=C(F)C=C6)C3=O)=NS2(=O)=O)(=O)=O
| legal_status =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| routes_of_administration = ]
| ChemSpiderID = 24680206

| InChI = 1/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1
<!--Pharmacokinetic data-->
| InChIKey = DEKOYVOWOVJMPM-RLHIPHHXBY
| bioavailability =
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| protein_bound =
| StdInChI = 1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1
| metabolism =
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| elimination_half-life =
⚫ | StdInChIKey = DEKOYVOWOVJMPM-RLHIPHHXSA-N
| excretion =
}}

| Section2 = {{Chembox Properties
<!--Identifiers-->
| C=25|H=25|F=1|N=4|O=6|S=2
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| Appearance =
| CAS_number = <!-- blanked - oldvalue: 146464-95-1 -->
| Density =
| MeltingPt = | ATC_prefix = L01
| BoilingPt = | ATC_suffix = BA05
| Solubility = }} | PubChem = 148121
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| Section3 = {{Chembox Hazards
| MainHazards = | DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| FlashPt =
| Autoignition = }} | ChemSpiderID = 130578
| UNII_Ref = {{fdacite|changed|FDA}}
| UNII = A8Q8I19Q20
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = <!-- blanked - oldvalue: 1201746 -->
| C=23 | H=23 | N=7 | O=5
| molecular_weight = 477.47 g/mol
| smiles = O=C(O)(NC(=O)c1ccc(cc1)C(CC#C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O
| InChI = 1/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1
| InChIKey = OGSBUKJUDHAQEA-WMCAAGNKBV
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = OGSBUKJUDHAQEA-WMCAAGNKSA-N
}} }}

Revision as of 11:23, 21 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 461468732 of page Pralatrexate with values updated to verified values.

{{Drugbox | Verifiedfields = changed | verifiedrevid = 400859808 | IUPAC_name = N-(4-{1-but-3-yn-1-yl}benzoyl)-L-glutamic acid | image = Pralatrexate.png

| tradename = | Drugs.com = Monograph | licence_US = Pralatrexate | pregnancy_AU = | pregnancy_US = | pregnancy_category = D | legal_AU = | legal_CA = | legal_UK = | legal_US = Rx-only | legal_status = | routes_of_administration = Intravenous

| bioavailability = | protein_bound = | metabolism = | elimination_half-life = | excretion =

| CAS_number_Ref = | CAS_number = | ATC_prefix = L01 | ATC_suffix = BA05 | PubChem = 148121 | DrugBank_Ref = | DrugBank = | ChemSpiderID_Ref = | ChemSpiderID = 130578 | UNII_Ref = | UNII = A8Q8I19Q20 | ChEMBL_Ref = | ChEMBL = | C=23 | H=23 | N=7 | O=5 | molecular_weight = 477.47 g/mol | smiles = O=C(O)(NC(=O)c1ccc(cc1)C(CC#C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O | InChI = 1/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1 | InChIKey = OGSBUKJUDHAQEA-WMCAAGNKBV | StdInChI_Ref = | StdInChI = 1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1 | StdInChIKey_Ref = | StdInChIKey = OGSBUKJUDHAQEA-WMCAAGNKSA-N }}

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