[(99m)Tc]TRODAT-1 (CHEBI:234508)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:234508 - [^99mTc]TRODAT-1

Take structure to advanced search

ChEBI ID	CHEBI:234508
ChEBI Name	[^99mTc]TRODAT-1
Stars
ASCII Name	[(99m)Tc]TRODAT-1
Definition	A technetium coordination entity that consists of TRODAT-1 coordinated to a central technetium-99 oxo complex. It is a selective dopamine transporter imaging agent.
Last Modified	25 June 2025
Submitter	Adnan
Downloads	Molfile

Formula	C21H31ClN3OS2
Net Charge	0
Average Mass	539.992
Monoisotopic Mass	539.06596
SMILES	CN1[C@H]2CC[C@@H]1[C@@H](C[N]13CC[S][99Tc]14(=[O])[S]CC[N]4CC3)[C@@H](c1ccc(Cl)cc1)C2
InChI	InChI=1S/C21H33ClN3S2.O.Tc/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16;;/h2-5,18-21,26-27H,6-15H2,1H3;;/q-1;;+3/p-2/t18-,19+,20-,21+;;/m0../s1/i;;1+1
InChIKey	LBLXXXZKPHBSFS-BPSMTZBBSA-L

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:	radioactive imaging agent radiopharmaceutical Any pharmaceutical compound containing a radioisotope.

ChEBI Ontology

Outgoing Relation(s)
	[^99mTc]TRODAT-1 (CHEBI:234508) has functional parent TRODAT-1 (CHEBI:234467)
	[^99mTc]TRODAT-1 (CHEBI:234508) has role radioactive imaging agent (CHEBI:37336)
	[^99mTc]TRODAT-1 (CHEBI:234508) has role radiopharmaceutical (CHEBI:35232)
	[^99mTc]TRODAT-1 (CHEBI:234508) is a azabicycloalkane (CHEBI:38295)
	[^99mTc]TRODAT-1 (CHEBI:234508) is a monochlorobenzenes (CHEBI:83403)
	[^99mTc]TRODAT-1 (CHEBI:234508) is a technetium coordination entity (CHEBI:234509)
	[^99mTc]TRODAT-1 (CHEBI:234508) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
{2-[{[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl}(2-{[2-(sulfanyl-κS)ethyl]amino-κN}ethyl)amino-κN]ethanethiolato(3−)-κS}(oxido)technetium

Synonyms	Source
^99mTc TRODAT-1	ChEBI
^99mTc-TRODAT-1	ChEBI
technetium-99m TRODAT-1	ChEBI
2-[[2-[[[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3,2,1]oct-2-yl]-methyl](2-mercaptoethyl)amino]ethyl]amino]ethanethiolato(3−)]-oxo-[1R-(exo-exo)]-technetium	ChEBI
TRODAT 1 (Tc-99m)	ChEBI
[Tc-99m]TRODAT-1	ChEBI

Registry Numbers	Sources
CAS:184677-53-0	ChEBI

Citations