Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Edotreotide [USAN:INN]
RN: 204318-14-9
UNII: U194AS08HZ
InChIKey: RZHKDBRREKOZEW-AAXZNHDCSA-N

Classification Codes

  • Diagnosis and Staging of Tumors Expressing Somatostatin Receptors
  • Diagnostic Uses of Chemicals
  • Indicators and Reagents
  • Radiopharmaceuticals

Molecular Formula

  • C65-H92-N14-O18-S2

Molecular Weight

  • 1421.65
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Edotreotide
  • Edotreotide [USAN:INN]

Synonyms

  • Edotreotide
  • L-Cysteinamide, N-((4,7,10-tris(carboxymetnyl)-1,4,7,10-tetraazacyclodec-1-yl)acetyl)-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic(2-7)-disulfide
  • N-((4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacycoldodec-1-yl)acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryprophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide
  • SMT 487
  • SMT-487
  • UNII-U194AS08HZ

Systematic Names

  • L-Cysteinamide, N-((4,7,10-tris(carboxymetnyl)-1,4,7,10-tetraazacyclodec-1-yl)acetyl)-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic(2-7)-disulfide
  • N-((4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacycoldodec-1-yl)acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryprophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L cysteinamide cyclic (2-7)-disulfide

Registry Numbers

CAS Registry Number

  • 204318-14-9

FDA UNII

  • U194AS08HZ

System Generated Number

  • 0204318149

Structure Descriptors

InChI

1S/C65H92N14O18S2/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)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1

InChIKey

RZHKDBRREKOZEW-AAXZNHDCSA-N

Smiles

C([N@@]1CCN(CC[N@@](CCN(CC1)CC(=O)N[C@@H](C(N[C@@H]1C(N[C@H](C(N[C@@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](CO)[C@@H](C)O)=O)CSSC1)=O)[C@H](O)C)CCCCN)=O)Cc1c[nH]c2c1cccc2)=O)Cc1ccc(cc1)O)=O)=O)Cc1ccccc1)CC(=O)O)CC(=O)O)C(=O)O