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Revision as of 10:00, 20 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 476697623 of page Spiramycin for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 10:03, 20 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 468556698 of page Stigmatellin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').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|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{chembox
⚫ | verifiedrevid = 450635210
| Verifiedfields = changed
|ImageFile=Stigmatellin.svg
| Watchedfields = changed
|ImageSize=250px
⚫ | verifiedrevid = 401063813
|IUPACName=
| IUPAC_name = (4''R'',5''S'',6''R'',7''R'',9''R'',10''R'',11''E'',13''E'',16''R'')-10-{oxy}-9,16-dimethyl-5-methoxy-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-''O''-(2,6-dideoxy-3-''C''-methyl-α-<small>L</small>-''ribo''-hexopyranosyl)-3-(dimethylamino)-α-<small>D</small>-glucopyranoside
|OtherNames=
| image = Spiramycin I.svg
|Section1= {{Chembox Identifiers
| width = 350
⚫ | CASNo = <!-- blanked - oldvalue: 91682-96-1 -->

| ChEMBL = 486556
<!--Clinical data-->
⚫ | PubChem=447884
| tradename =
| .com = {{ .com|CONS|spiramycin}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 394850
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| SMILES = O=C\1c2c(O/C(=C/1C)CC(C)(OC)(C)(OC)\C=C\C=C\C(=C\C)C)c(O)c(OC)cc2OC
| pregnancy_US = <!-- A / B / C / D / X -->
| InChI = 1/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1
| pregnancy_category =
| InChIKey = UZHDGDDPOPDJGM-CVOZLMQJBZ
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| StdInChI = 1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
⚫ | StdInChIKey = UZHDGDDPOPDJGM-CVOZLMQJSA-N
| legal_status =
| MeSHName=Stigmatellin
| routes_of_administration =
}}

|Section2= {{Chembox Properties
<!--Pharmacokinetic data-->
| Formula=C<sub>30</sub>H<sub>42</sub>O<sub>7</sub>
| bioavailability =
| MolarMass=514.65 g/mol
| protein_bound =
| Appearance=
| metabolism =
| Density=
| elimination_half-life =
| MeltingPt=
| excretion =
| BoilingPt=

| Solubility=
<!--Identifiers-->
}}
| CAS_number_Ref = {{cascite|correct|??}}
|Section3= {{Chembox Hazards
| CAS_number = 8025-81-8
| MainHazards=
| ATC_prefix = J01
| FlashPt=
| ATC_suffix = FA02
| Autoignition=
| ATC_supplemental = {{ATCvet|J51|FA02}}
}}
⚫ | PubChem = 5356392
| DrugBank_Ref = {{ bankcite|correct|drugbank}}
| DrugBank =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 4512090
| UNII_Ref = {{fdacite|changed|FDA}}
| UNII = 71ODY0V87H
| KEGG_Ref = {{keggcite|changed|kegg}}
| KEGG = D05908
| ChEMBL_Ref = {{ebicite|changed|EBI}}
⚫ | ChEMBL = <!-- blanked - oldvalue: 1256397 -->
| NIAID_ChemDB = 007350

<!--Chemical data-->
| C=43 | H=74 | N=2 | O=14
| molecular_weight = 843.053 g/mol
| smiles = O=CCC4C(OC2OC(C(OC1OC(C)C(O)C(O)(C)C1)C(N(C)C)C2O)C)C(OC)C(O)CC(=O)OC(C)C\C=C\C=C\C(OC3OC(C)C(N(C)C)CC3)C(C)C4
| InChI = 1/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+
| InChIKey = ACTOXUHEUCPTEW-OBURPCBNBW
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = ACTOXUHEUCPTEW-OBURPCBNSA-N
| synonyms = <small>2-oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-10-{oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde</small>
| solubility = Insoluble in water; Very soluble in acetonitrile and methanol; Almost completely(>99.5) in ethanol.
}} }}

Revision as of 10:03, 20 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 468556698 of page Stigmatellin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
MeSH Stigmatellin
PubChem CID
InChI
  • InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1Key: UZHDGDDPOPDJGM-CVOZLMQJSA-N
  • InChI=1/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1Key: UZHDGDDPOPDJGM-CVOZLMQJBZ
SMILES
  • O=C\1c2c(O/C(=C/1C)CC(C)(OC)(C)(OC)\C=C\C=C\C(=C\C)C)c(O)c(OC)cc2OC
Properties
Chemical formula C30H42O7
Molar mass 514.65 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound