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Substance Name: Sdz 215-811
RN: 142694-57-3
InChIKey: DSCDMAQBPMKHAS-UHFFFAOYSA-N

Note

  • Potential radiopharmaceutical for imaging of somatostatin receptor-positive tumors.

Classification Codes

  • Indicators and Reagents
  • Radiopharmaceuticals

Molecular Formula

  • C63-H85-N13-O20-S2

Molecular Weight

  • 1408.57
 
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Names and Synonyms

Name of Substance

  • SDZ 215-811

Synonyms

  • (Dtpa-phe(1))-octreotide
  • (In111-Dtpa-phe(1))-octreotide
  • 161Tb-(Dtpa-phe(1))-octreotide
  • Indium-111-D-phe(1)-octreotide
  • Octreoscan 111
  • Octreotide, dtpa-phe(1)-
  • Pentatreotide
  • Sdz-215-811
  • Terbium-161-(dtpa-phe(1))-octreotide

Systematic Name

  • L-Threonine, N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryprophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (3-8)-disulfide

Registry Numbers

CAS Registry Number

  • 142694-57-3

System Generated Number

  • 0142694573

Structure Descriptors

InChI

1S/C63H85N13O20S2/c1-36(77)54-62(94)71-48(61(93)73-55(37(2)78)63(95)96)35-98-97-34-47(70-57(89)44(25-38-13-5-3-6-14-38)66-49(79)29-75(31-51(82)83)23-21-74(30-50(80)81)22-24-76(32-52(84)85)33-53(86)87)60(92)68-45(26-39-15-7-4-8-16-39)58(90)69-46(27-40-28-65-42-18-10-9-17-41(40)42)59(91)67-43(56(88)72-54)19-11-12-20-64/h3-10,13-18,28,36-37,43-48,54-55,65,77-78H,11-12,19-27,29-35,64H2,1-2H3,(H,66,79)(H,67,91)(H,68,92)(H,69,90)(H,70,89)(H,71,94)(H,72,88)(H,73,93)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,95,96)

InChIKey

DSCDMAQBPMKHAS-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)[nH]cc2C[C@@H]1C(N[C@@H](C(N[C@@H]([C@@H](O)C)C(N[C@@H](CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(N1)=O)NC([C@@H](Cc1ccccc1)NC(C[N@@](CC(O)=O)CC[N@@](CCN(CC(O)=O)CC(=O)O)CC(=O)O)=O)=O)C(N[C@@H]([C@@H](C)O)C(=O)O)=O)=O)=O)CCCCN)=O