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Substance Name: Tc 99m Pnao-sms
RN: 151956-25-1
InChIKey: GTMBGRSFXIOYDK-LKQYUXJMSA-M

Note

  • For in vivo targeting of somatostatin receptor-positive tumors.

Molecular Weight

  • 1550.82
 
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Names and Synonyms

Results Name

  • Tc 99m Pnao-sms

Name of Substance

  • Technetium Tc 99m 6-(4-thioureabenzyl)-3,3,9,9-tetramethyl-4,8-diazaundecane-phenylalanine(1)-octreotide

Synonym

  • Tc 99m Pnao-sms

Registry Numbers

CAS Registry Number

  • 151956-25-1

System Generated Number

  • 0151956251

Structure Descriptors

InChI

1S/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

InChIKey

GTMBGRSFXIOYDK-LKQYUXJMSA-M

Smiles

[99Tc+3]=O.c1c2c(ccc1)[nH]cc2C[C@@H]1C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](CO)[C@@H](C)O)=O)CSSC[C@@H](C(N[C@@H](C(=O)N1)Cc1ccccc1)=O)NC([C@@H](NC(Nc1ccc(C[C@@H](C[N-]C(C(=N/O)\C)(C)C)C[N-]C(\C(=N\[O-])C)(C)C)cc1)=S)Cc1ccccc1)=O)=O)[C@@H](O)C)=O)CCCCN)=O