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Details

Stereochemistry ABSOLUTE
Molecular Formula C65H89N14O18S2.Ga
Molecular Weight 1486.543
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDOTREOTIDE GALLIUM GA-68

SMILES

[68Ga+3].C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

InChI

InChIKey=PZBPHYLKIMOZPR-FIYGWYQWSA-K
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

HIDE SMILES / InChI
Molecular Formula Ga
Molecular Weight 67.928
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C65H89N14O18S2
Molecular Weight 1418.615
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Description

Gallium edotreotide Ga-68 is a radioconjugate consisting of the octreotide derivative edotreotide labeled with gallium 68 (Ga-68). Similar to octreotide, gallium Ga 68-edotreotide binds to somatostatin receptors (SSTRs), especially type 2 receptors, present on the cell membranes of many types of neuroendocrine tumor cells and their metastases, thereby allowing for imaging of SSTR-expressing cells with positron emission tomography (PET). Gallium edotreotide Ga-68 has been authorized in the EU as SomaKit for the diagnosis of gastro-entero-pancreatic neuroendocrine tumors. It was investigated in clinical trials for imaging of brain tumors, pituitary tumors and neuroendocrine tumors of various origin.

Approval Year

2019
334
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:54:16 UTC 2023
Edited
by admin
on Sat Dec 16 08:54:16 UTC 2023
Record UNII
Y68179SY2L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EDOTREOTIDE GALLIUM GA-68
Common Name English
DOTA-TOC GALLIUM GA-68
Common Name English
GALLIUM (68GA) EDOTREOTIDE
Common Name English
GALLIUM-68GA, (N-(2-(4,7-BIS((CARBOXY-.KAPPA.O)METHYL)-10-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL)-D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDRO
Systematic Name English
68GA-DOTATOC
Common Name English
GALLIUM GA 68-EDOTREOTIDE
Common Name English
SOMAKIT TOC
Brand Name English
NETSPOT
Common Name English
GALLIUM GA-68 EDOTREOTIDE
Common Name English
GALLATE(3-)-68GA, (N-(2-(7-(1-CARBOXY-4-((3-(8,9-DIHYDRO-8-(3-((6-(2-(2-(3-(2-(1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE)ETHYLIDENE)-2-(4-SULFOPHENOXY)-1-CYCLOHEXEN-1-YL)ETHENYL)-3,3-DIMETHYL-5-SULFO-3H-INDOLIUM-1-YL)-1-OXOHEXY
Systematic Name English
EDOTREOTIDE GALLIUM GA 68
Common Name English
GA 68 DOTATOC
Brand Name English
GALLIUM DOTATOC GA-68 [ORANGE BOOK]
Common Name English
(N-(2-(4,7-BIS((CARBOXY-.KAPPA.O)METHYL)-10-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL)-D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPY
Systematic Name English
68GA-DOTA-TYR3-OCTREOTIDE
Common Name English
GALLIUM EDOTREOTIDE GA-68
Common Name English
Gallium (68Ga) edotreotide [WHO-DD]
Common Name English
GALLIUM GA 68-DOTATOC
Common Name English
GA-68 DOTA-TYR3-OCTREOTIDE
Common Name English
GALLIUM DOTATOC GA 68
Brand Name English
GA-68-DOTATOC [MI]
Common Name English
GALLIUM DOTATOC GA-68
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2124
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
FDA ORPHAN DRUG 483915
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
FDA ORPHAN DRUG 409513
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
WHO-ATC V09IX09
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
EU-Orphan Drug EU/3/15/1450
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
FDA ORPHAN DRUG 413613
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
Code System Code Type Description
DRUG CENTRAL
5185
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
FDA UNII
Y68179SY2L
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
CAS
2101630-92-4
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
NCI_THESAURUS
C101369
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
EVMPD
SUB183602
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
RXCUI
2199391
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
LACTMED
Edotreotide Gallium Ga-68
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID601027889
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
PUBCHEM
71661158
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
SMS_ID
100000169817
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
MERCK INDEX
m12174
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
CAS
459831-08-4
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
ALTERNATIVE
DRUG BANK
DB15494
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
DAILYMED
Y68179SY2L
Created by admin on Sat Dec 16 08:54:16 UTC 2023 , Edited by admin on Sat Dec 16 08:54:16 UTC 2023
PRIMARY
Related Record Type Details
Structure of EDOTREOTIDE
NON-LABELED -> LABELED
Structure of EDOTREOTIDE
PARENT -> SALT/SOLVATE
SOMATOSTATIN RECEPTOR TYPE 2
TARGET->RADIOLIGAND
Related Record Type Details
Structure of EDOTREOTIDE GALLIUM GA-68
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