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Substance Name: Edotreotide gallium Ga-68
RN: 2101630-92-4
UNII: Y68179SY2L
InChIKey: PZBPHYLKIMOZPR-FIYGWYQWSA-K

Molecular Formula

  • C65-H89-N14-O18-S2.Ga

Molecular Weight

  • 1486.5431
 
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Names and Synonyms

Name of Substance

  • Edotreotide gallium Ga-68

Synonyms

  • 68Ga-DOTA-Tyr3-octreotide
  • Edotreotide gallium Ga 68
  • Edotreotide gallium Ga-68
  • Ga 68 Dotatoc
  • Ga-68 DOTA-Tyr3-octreotide
  • Gallium (68Ga) edotreotide
  • Gallium (68Ga) edotreotide [WHO-DD]
  • Gallium dotatoc Ga 68
  • Gallium dotatoc Ga-68
  • Gallium edotreotide Ga-68
  • Gallium Ga 68-dotatoc
  • Gallium Ga 68-edotreotide
  • Gallium Ga-68 edotreotide
  • Netspot
  • Somakit toc
  • UNII-Y68179SY2L

Registry Numbers

CAS Registry Number

  • 2101630-92-4

FDA UNII

  • Y68179SY2L

System Generated Number

  • 2101630924

Structure Descriptors

InChI

1S/C65H92N14O18S2.Ga/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53;/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90);/q;+3/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+;/m1./s1/i;1-2

InChIKey

PZBPHYLKIMOZPR-FIYGWYQWSA-K

Smiles

[68Ga+3].C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN3CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC3)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1