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151956-25-1 technetium tc 99m 6-(4-thioureabenzyl)-3,3,9,9-tetramethyl-4,8-diazaundecane-phenylalani

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Product Name technetium Tc 99m 6-(4-thioureabenzyl)-3,3,9,9-tetramethyl-4,8-diazaundecane-phenylalanine(1)-octreotide
CAS No. 151956-25-1
Synonyms Tc 99m Pnao-sms; Technetium Tc 99m 6-(4-thioureabenzyl)-3,3,9,9-tetramethyl-4,8-diazaundecane-phenylalanine(1)-octreotide; oxo(99Tc)technetium(3+) N-[10-(4-aminobutyl)-16-benzyl-4-[(1,3-dihydroxybutan-2-yl)carbamoyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-Nα-({4-[3-{[(3E)-3-(hydroxyimino)-2-methylbutan-2-yl]azanidyl}-2-({[(3E)-2-methyl-3-(oxidoimino)butan-2-yl]azanidyl}methyl)propyl]phenyl}carbamothioyl)phenylalaninamide
InChI InChI=1/C70H97N15O12S3.O.Tc/c1-41(87)57(38-86)79-66(94)59-40-100-99-39-58(80-63(91)55(33-46-21-13-10-14-22-46)82-68(98)75-50-28-26-47(27-29-50)31-48(35-73-69(5,6)43(3)84-96)36-74-70(7,8)44(4)85-97)65(93)77-54(32-45-19-11-9-12-20-45)62(90)78-56(34-49-37-72-52-24-16-15-23-51(49)52)64(92)76-53(25-17-18-30-71)61(89)83-60(42(2)88)67(95)81-59;;/h9-16,19-24,26-29,37,41-42,48,53-60,72,86-88,96-97H,17-18,25,30-36,38-40,71H2,1-8H3,(H,76,92)(H,77,93)(H,78,90)(H,79,94)(H,80,91)(H,81,95)(H,83,89)(H2,75,82,98);;/q-2;;+3/p-1/b84-43+,85-44+;;/i;;1+1/rC70H97N15O12S3.OTc/c1-41(87)57(38-86)79-66(94)59-40-100-99-39-58(80-63(91)55(33-46-21-13-10-14-22-46)82-68(98)75-50-28-26-47(27-29-50)31-48(35-73-69(5,6)43(3)84-96)36-74-70(7,8)44(4)85-97)65(93)77-54(32-45-19-11-9-12-20-45)62(90)78-56(34-49-37-72-52-24-16-15-23-51(49)52)64(92)76-53(25-17-18-30-71)61(89)83-60(42(2)88)67(95)81-59;1-2/h9-16,19-24,26-29,37,41-42,48,53-60,72,86-88,96-97H,17-18,25,30-36,38-40,71H2,1-8H3,(H,76,92)(H,77,93)(H,78,90)(H,79,94)(H,80,91)(H,81,95)(H,83,89)(H2,75,82,98);/q-2;+3/p-1/b84-43+,85-44+;/i;2+1
Molecular Formula C70H96N15O13S399Tc
Molecular Weight 1550.7052