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Revision as of 18:31, 9 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 452561034 of page TAN-1057_A for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 18:32, 9 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 407889498 of page TAN-1057_C for the Chem/Drugbox validation project (updated: 'CASNo').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|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{Chembox
| verifiedrevid = 401616968 | verifiedrevid = 401615853
| Name=TAN-1057 A <small>(top)</small> and TAN-1057 B <small>(bottom)</small> | Name=TAN-1057 C <small>(top)</small> and TAN-1057 D <small>(bottom)</small>
| ImageFile1 = TAN-1057A.png | ImageFile1 = TAN-1057C.png
| ImageSize1 = 200px | ImageSize1 = 200px
| ImageFile2 = TAN-1057B.png | ImageFile2 = TAN-1057D.png
| ImageSize2 = 200px | ImageSize2 = 200px
| IUPACName = | IUPACName =
Line 11: Line 11:
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 110872 | ChemSpiderID = 7851330
| InChI = 1/C13H25N9O3/c1-22(8-6-19-13(20-10(8)24)21-12(17)25)9(23)5-7(14)3-2-4-18-11(15)16/h7-8H,2-6,14H2,1H3,(H4,15,16,18)(H4,17,19,20,21,24,25)/t7-,8+/m0/s1 | InChI = 1/C13H25N9O3/c1-22-9(6-19-20-7-18-13(16)25)11(24)21-8(5-10(22)23)3-2-4-17-12(14)15/h7-9,19H,2-6H2,1H3,(H,21,24)(H4,14,15,17)(H3,16,18,20,25)/t8-,9+/m0/s1
| InChIKey = ZMWBCGMRXBPXEU-JGVFFNPUBF | InChIKey = PNFFUPQADHHLMN-DTWKUNHWBI
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C13H25N9O3/c1-22(8-6-19-13(20-10(8)24)21-12(17)25)9(23)5-7(14)3-2-4-18-11(15)16/h7-8H,2-6,14H2,1H3,(H4,15,16,18)(H4,17,19,20,21,24,25)/t7-,8+/m0/s1 | StdInChI = 1S/C13H25N9O3/c1-22-9(6-19-20-7-18-13(16)25)11(24)21-8(5-10(22)23)3-2-4-17-12(14)15/h7-9,19H,2-6H2,1H3,(H,21,24)(H4,14,15,17)(H3,16,18,20,25)/t8-,9+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = ZMWBCGMRXBPXEU-JGVFFNPUSA-N | StdInChIKey = PNFFUPQADHHLMN-DTWKUNHWSA-N
| CASNo = <!-- blanked - oldvalue: 128126-44-3 --> | CASNo = <!-- blanked - oldvalue: 128126-46-5 -->
| CASOther = &nbsp;(TAN-1057 A)<br>128126-45-4 (TAN-1057 B) | CASOther = &nbsp;(TAN-1057 C)<br>128126-47-6 (TAN-1057 D)
| PubChem = 124498 | PubChem = 9576889
| SMILES = O=C1N\C(=N/C1N(C(=O)C(N)CCC/N=C(\N)N)C)NC(=O)N | SMILES = O=C1N(C)(C(=O)N(C1)CCC/N=C(\N)N)CNN\C=N\C(=O)N
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties

Revision as of 18:32, 9 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 407889498 of page TAN-1057_C with values updated to verified values.
TAN-1057 C (top) and TAN-1057 D (bottom)
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C13H25N9O3/c1-22-9(6-19-20-7-18-13(16)25)11(24)21-8(5-10(22)23)3-2-4-17-12(14)15/h7-9,19H,2-6H2,1H3,(H,21,24)(H4,14,15,17)(H3,16,18,20,25)/t8-,9+/m0/s1Key: PNFFUPQADHHLMN-DTWKUNHWSA-N
  • InChI=1/C13H25N9O3/c1-22-9(6-19-20-7-18-13(16)25)11(24)21-8(5-10(22)23)3-2-4-17-12(14)15/h7-9,19H,2-6H2,1H3,(H,21,24)(H4,14,15,17)(H3,16,18,20,25)/t8-,9+/m0/s1Key: PNFFUPQADHHLMN-DTWKUNHWBI
SMILES
  • O=C1N(C)(C(=O)N(C1)CCC/N=C(\N)N)CNN\C=N\C(=O)N
Properties
Chemical formula C13H25N9O3
Molar mass 355.403 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