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Substance Name: Desferrioxamine B-succinyl-phenylalanine(1)-octreotide
RN: 151956-24-0
InChIKey: RTRNGKJCEFNFNZ-ZQSXMSGHSA-N

Note

  • Can be labeled with gallium (67) or (68); for in vivo targeting of somatostatin receptor-positive tumors.

Molecular Formula

  • C78-H113-Ga-N16-O20-S2

Molecular Weight

  • 1726.97
 
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Names and Synonyms

Name of Substance

  • Desferrioxamine B-succinyl-phenylalanine(1)-octreotide

Synonyms

  • Dfo-sms
  • Gallium (67)-dfo-sms
  • Gallium (68)-dfo-sms
  • Sdz 216-927

Systematic Name

  • Gallium-68Ga, ((R-(R*,R*))-N-(11,22,33-trihydroxy-1,4,12,15,23,26,34-heptaoxo-5,11,16,22,27,33-hexaazapentatriacont-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfidato(3-))-

Registry Numbers

CAS Registry Number

  • 151956-24-0

System Generated Number

  • 0151956240

Structure Descriptors

InChI

1S/C78H113N16O20S2.Ga/c1-50(96)62(47-95)88-77(110)64-49-116-115-48-63(76(109)86-60(44-54-25-11-5-12-26-54)74(107)87-61(45-55-46-83-57-28-14-13-27-56(55)57)75(108)85-58(29-15-16-36-79)72(105)91-71(51(2)97)78(111)90-64)89-73(106)59(43-53-23-9-4-10-24-53)84-68(102)31-30-65(99)80-37-18-7-21-41-93(113)70(104)35-33-67(101)82-39-19-8-22-42-94(114)69(103)34-32-66(100)81-38-17-6-20-40-92(112)52(3)98;/h4-5,9-14,23-28,46,50-51,58-64,71,83,95-97H,6-8,15-22,29-45,47-49,79H2,1-3H3,(H,80,99)(H,81,100)(H,82,101)(H,84,102)(H,85,108)(H,86,109)(H,87,107)(H,88,110)(H,89,106)(H,90,111)(H,91,105);/q-3;+3/i;1-2

InChIKey

RTRNGKJCEFNFNZ-ZQSXMSGHSA-N

Smiles

[68Ga+3].c1(ccccc1)C[C@@H](C(=O)N[C@@H]1C(N[C@@H](C(N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC1)C(=O)N[C@@H]([C@@H](O)C)CO)[C@@H](O)C)CCCCN)Cc1c2c(cccc2)[nH]c1)=O)Cc1ccccc1)=O)NC(=O)CCC(NCCCCCN([O-])C(=O)CCC(=O)NCCCCCN([O-])C(CCC(NCCCCCN([O-])C(=O)C)=O)=O)=O