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Substance Name: Edotreotide yttrium Y-90
RN: 322407-70-5
UNII: ABF7OG3FA3
InChIKey: DUSFGVAHRFYHFD-CEKOMBBOSA-K

Molecular Formula

  • C65-H89-N14-O18-S2.Y

Molecular Weight

  • 1508.6301
 
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Names and Synonyms

Name of Substance

  • Edotreotide yttrium Y-90

Synonyms

  • 90Y-SMT-487
  • 90Y-SMT487
  • Edotreotide 90Y chelate [MI]
  • Edotreotide yttrium Y-90
  • UNII-ABF7OG3FA3
  • Yttrium (90Y) edotreotide
  • Yttrium 90Y edotreotide
  • Yttrium Y 90-edotreotide
  • Yttrium Y-90 N-((4,7,10-triscarboxymethyl-1,4,7,10-tetraazacyclododec-1-yl)acetyl)-D-phe-CYS-tyr-D-trp-lys-thr-CYS-thr (2-7)disulfide

Registry Numbers

CAS Registry Number

  • 322407-70-5

FDA UNII

  • ABF7OG3FA3

System Generated Number

  • 0322407705

Structure Descriptors

InChI

1S/C65H92N14O18S2.Y/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+1

InChIKey

DUSFGVAHRFYHFD-CEKOMBBOSA-K

Smiles

C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccc(cc4)O)NC(=O)[C@@H](Cc5ccccc5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@H](CO)[C@@H](C)O)O.[90Y+3]