| Revision as of 11:12, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{chembox}} taken from revid 477146248 of page Carthamin for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit |
Revision as of 11:13, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,074 edits Saving copy of the {{drugbox}} taken from revid 477057202 of page Chlordiazepoxide for the Chem/Drugbox validation project (updated: 'DrugBank').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.}} |
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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.}} |
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{{chembox |
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{{Drugbox |
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| Verifiedfields = changed |
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| verifiedrevid = 443507835 |
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| verifiedrevid = 460030001 |
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| Reference = <ref>''Merck Index'', 11th Edition, '''1876'''.</ref> |
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| IUPAC_name = 7-chloro-2-methylamino-5-phenyl-3''H''-1,4-benzodiazepine-4-oxide'' |
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| ImageFile = Carthamin.png |
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| image = Chlordiazepoxide.svg |
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| ImageSize = 250px |
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| width = 150 |
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| IUPACName = <small>(''2Z,6S'')-6-β-D-Glucopyranosyl -2- -6-oxo-1,4-cyclohexadien-1-yl]methylene] -5,6-dihydroxy -4- -4-cyclohexene-1,3-dione</small> |
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| image2 = Chlordiazepoxide-from-xtal-1982-3D-balls.png |
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| OtherNames = Carthamine<br>Carthamic acid<br>C.I. Natural Red 26<br>Safflower red |
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| Section1 = {{Chembox Identifiers |
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<!--Clinical data--> |
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| Abbreviations = |
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| tradename = Librium |
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| InChI1 = 1/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-48,50-57,62-63H,14-15H2/b11-5+,12-6+,21-13+,26-22+/t24-,25-,30-,31-,32+,33+,34-,35-,40?,41?,42+,43-/m1/s1 |
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| Drugs.com = {{drugs.com|monograph|chlordiazepoxide}} |
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| InChIKey1 = UZPQVEVQJJKELH-YOKGVFNOBD |
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| MedlinePlus = a682078 |
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| SMILES1 = Oc1ccc(cc1)/C=CC(\O)=C6\C(\O)=C(\C=C/4\C(=O)(O)(C2O(CO)(O)(O)2O)C(=O)C(\C(=O)/C=C/c3ccc(O)cc3)=C\4\O)C(=O)(O)(C5O(CO)(O)(O)5O)C6=O |
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| pregnancy_US = D |
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| CASNo_Ref = {{cascite|correct|??}} |
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| legal_US = Schedule IV |
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| CASNo = <!-- blanked - oldvalue: 36338-96-2 --> |
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| routes_of_administration = oral <br> intramuscular |
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<!--Pharmacokinetic data--> |
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| metabolism = ] |
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| elimination_half-life = 5–30 hours (Active metabolite ] 36-200 hours: other active metabolites include ] and ].) |
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| excretion = ] |
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<!--Identifiers--> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CAS_number_Ref = {{cascite|correct|??}} |
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| CAS_number = 58-25-3 |
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| ATC_prefix = N05 |
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| ATC_suffix = BA02 |
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| PubChem = 2712 |
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| DrugBank_Ref = {{drugbankcite|changed|drugbank}} |
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| DrugBank = DB00475 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID=21106423 |
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| ChemSpiderID = 10248513 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| EINECS = |
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| PubChem = 11968069 |
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| UNII = 6RZ6XEZ3CR |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = D00267 |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI = 3611 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 451 |
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<!--Chemical data--> |
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| C=16 | H=14 | Cl=1 | N=3 | O=1 |
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| molecular_weight = 299.75 g/mol |
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| smiles = Clc1ccc2\N=C(/C(/)=C(\c2c1)c3ccccc3)NC |
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| InChI = 1/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19) |
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| InChIKey = ANTSCNMPPGJYLG-UHFFFAOYAM |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19) |
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| StdInChI = 1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-48,50-57,62-63H,14-15H2/b11-5+,12-6+,21-13+,26-22+/t24-,25-,30-,31-,32+,33+,34-,35-,40?,41?,42+,43-/m1/s1 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = UZPQVEVQJJKELH-YOKGVFNOSA-N |
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| StdInChIKey = ANTSCNMPPGJYLG-UHFFFAOYSA-N |
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| SMILES = O=C(/C=C/C3=C C=C(O)C=C3) C (C(/C1=C/C2=C(O) (6()(O) (O)(O)(CO)O6)(O) C (O)= C (C(/C=C/C5=CC=C(O)C=C5) =O)C2=O)=O)= C(O)(4() O (CO)(O) (O)4O)(O)C1=O |
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| InChI = |
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| RTECS = |
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| MeSHName = |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI = |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = |
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| ATCCode_prefix = |
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| ATCCode_suffix = |
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| ATC_Supplemental =}} |
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| Section2 = {{Chembox Properties |
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| Formula = C<sub>43</sub>H<sub>42</sub>O<sub>22</sub> |
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| MolarMass = 910.78 g/mol |
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| ExactMass = 910.216773 |
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| Appearance = Red powder |
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| Density = |
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| MeltingPt = |
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| Melting_notes = |
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| BoilingPt = |
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| Boiling_notes = |
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| Solubility = Slightly soluble |
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| SolubleOther = |
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| Solvent = |
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| pKa = |
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| pKb = }} |
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| Section7 = {{Chembox Hazards |
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| EUClass = |
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| EUIndex = |
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| MainHazards = |
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| NFPA-H = |
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| NFPA-F = |
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| NFPA-R = |
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| NFPA-O = |
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| RPhrases = |
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| SPhrases = |
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| RSPhrases = |
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| FlashPt = |
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| Autoignition = |
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| ExploLimits = |
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| PEL = }} |
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}} |
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}} |
