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Revision as of 15:42, 17 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 456672327 of page Glycyrrhetinic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 15:46, 17 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{drugbox}} taken from revid 456537057 of page Gramicidin for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL').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 = 443848606 | verifiedrevid = 414063447
| ImageFile=Glycyrrhetinic acid structure.svg
| image = Gramicidin A.gif
| ImageSize=200px

| IUPACName= (2''S'',4a''S'',6a''S'',6b''R'',8a''R'',10''S'',12a''S'',12b''R'',14b''R'')-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
<!--Clinical data-->
| IUPACName_hidden=yes
| tradename =
| OtherNames=Enoxolone; Glycyrrhetin; Uralenic acid; Glycyrrhetinate; Arthrodont; 3β-Hydroxy-11-oxoolean-12-en-30-olic acid
| Drugs.com = {{drugs.com|international|gramicidin}}
|Section1= {{Chembox Identifiers
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | ChemSpiderID = 9710
| legal_AU = <!-- Unscheduled / S2 / S4 / S8 -->
| InChI = 1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
| legal_UK = <!-- GSL / P / POM / CD -->
| InChIKey = MPDGHEJMBKOTSU-YKLVYJNSBE
| legal_US = <!-- OTC / Rx-only -->

<!--Identifiers-->
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 1405-97-6
| ATC_prefix = R02
| ATC_suffix = AB30
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = <!-- blanked - oldvalue: BTD00036 -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 3076403
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 5IE62321P4
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D04369
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = <!-- blanked - oldvalue: 557217 -->
| C=99 | H=140 | N=20 | O=17
| molecular_weight = 1882.3 g/mol
| smiles = O=C1N5C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1Cc2ccccc2)CC(C)C)CCCN)C(C)C)CCC3)Cc4ccccc4)CC(C)C)CCCN)C(C)C)CCC5
| InChI = 1/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)
| InChIKey = IUAYMJGZBVDSGL-UHFFFAOYAP
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 | StdInChI = 1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = MPDGHEJMBKOTSU-YKLVYJNSSA-N | StdInChIKey = IUAYMJGZBVDSGL-UHFFFAOYSA-N
| synonyms = Bacillus brevis gramicidin D
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo=471-53-4
| ChEMBL = 230006
| PubChem=10114
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 30853
| SMILES = O=C(O)5(C)C4/C3=C/C(=O)1(CC21(C)CC(O)C2(C)C)(C)3(C)CC4(C)CC5
| ATCCode_prefix = D03
| ATCCode_suffix = AX10
}}
|Section2= {{Chembox Properties
| C=30|H=46|O=4
| Appearance=
| Density=
| MeltingPt=
| BoilingPt=
| Solubility=
}}
|Section3= {{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
}} }}

Revision as of 15:46, 17 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456537057 of page Gramicidin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other namesBacillus brevis gramicidin D
AHFS/Drugs.comInternational Drug Names
ATC code
Identifiers
CAS Number
ChemSpider
UNII
KEGG
Chemical and physical data
FormulaC99H140N20O17
Molar mass1882.3 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C1N5C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1Cc2ccccc2)CC(C)C)CCCN)C(C)C)CCC3)Cc4ccccc4)CC(C)C)CCCN)C(C)C)CCC5
InChI
  • InChI=1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)
  • Key:IUAYMJGZBVDSGL-UHFFFAOYSA-N
  (what is this?)  (verify)
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