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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H34N3S2.OTc
Molecular Weight 518.65
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TC-99M M-TRODAT

SMILES

O=[Tc+3].CN1[C@H]2CC[C@@H]1[C@@H](CN(CC[S-])CC[N-]CC[S-])[C@H](C2)C3=CC=C(C)C=C3

InChI

InChIKey=HMEYQFYNITZBCM-LEZJEBDVSA-L
InChI=1S/C22H36N3S2.O.Tc/c1-17-3-5-18(6-4-17)20-15-19-7-8-22(24(19)2)21(20)16-25(12-14-27)11-9-23-10-13-26;;/h3-6,19-22,26-27H,7-16H2,1-2H3;;/q-1;;+3/p-2/t19-,20+,21-,22+;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TC-99M M-TRODAT
Common Name English
99MTC-TRODAT-M
Common Name English
TECHNETIUM-99TC, (2-((2-((2-(MERCAPTO-.KAPPA.S)ETHYL)AMINO-.KAPPA.N)ETHYL)(((1R,2R,3S,5S)-8-METHYL-3-(4-METHYLPHENYL)-8-AZABICYCLO(3.2.1)OCT-2-YL)METHYL)AMINO-.KAPPA.N)ETHANETHIOLATO(3-)-.KAPPA.S)OXO-, (SP-5-35)-
Systematic Name English
Code System Code Type Description
PUBCHEM
134160130
Created by admin on Fri Dec 15 15:48:46 GMT 2023 , Edited by admin on Fri Dec 15 15:48:46 GMT 2023
PRIMARY
FDA UNII
H1G3G34F14
Created by admin on Fri Dec 15 15:48:46 GMT 2023 , Edited by admin on Fri Dec 15 15:48:46 GMT 2023
PRIMARY
CAS
677027-98-4
Created by admin on Fri Dec 15 15:48:46 GMT 2023 , Edited by admin on Fri Dec 15 15:48:46 GMT 2023
PRIMARY