| Product Name | TAK 044 |
| CAS No. | 157380-72-8 |
| Synonyms | Tak 044; Cyclo(D-alpha-aspartyl-3-((4-phenylpiperazin-1-yl)carbonyl)-L-alanyl-L-alpha-aspartyl-D-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl) disodium salt; Tak-044; Cyclo(4-oxo-4-(4-phenyl-1-piperazinyl)-L-2-aminobutanoyl-L-alpha-aspartyl-D-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-alpha-aspartyl), disodium salt; Cyclo(L-alpha-aspartyl-(2R)-2-(2-thienyl)glycyl-L-leucyl-D tryptophyl-D-alpha-aspartyl-(alpha-S)-alpha-amino-gamma-oxo-4-phenyl-1-piperazinebutanoyl), disodium salt; disodium 2,2'-[(2R,5S,8S,11S,14S,17R)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-11-(thiophen-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecane-2,8-diyl]diacetate |
| InChI | InChI=1/C45H53N9O11S.2Na/c1-25(2)19-30-40(60)47-31(20-26-24-46-29-12-7-6-11-28(26)29)41(61)49-33(22-37(56)57)43(63)48-32(21-36(55)54-16-14-53(15-17-54)27-9-4-3-5-10-27)42(62)50-34(23-38(58)59)44(64)52-39(45(65)51-30)35-13-8-18-66-35;;/h3-13,18,24-25,30-34,39,46H,14-17,19-23H2,1-2H3,(H,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,65)(H,52,64)(H,56,57)(H,58,59);;/q;2*+1/p-2/t30-,31+,32-,33+,34-,39+;;/m0../s1 |
| Molecular Formula | C45H51N9Na2O11S |
| Molecular Weight | 971.9847 |
| Boiling point | 1421.4°C at 760 mmHg |
| Flash point | 813.4°C |
157380-72-8 tak 044
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