TRODAT 1 (TC-99M)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H31ClN3S2.O.Tc
Molecular Weight	539.07
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[O--].[Tc+5].CN1[C@H]2CC[C@@H]1[C@@H](CN(CC[S-])CC[N-]CC[S-])[C@H](C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=YZMUWLYZSRVFLE-GNCDZRFCSA-L

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;-2;+5/p-2/t18-,19+,20-,21+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	Tc
Molecular Weight	98.0
Charge	5
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H34ClN3S2
Molecular Weight	428.098
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:30:56 GMT 2023` Edited by `admin` on `Fri Dec 15 15:30:56 GMT 2023`
Record UNII	ULU42WOC7I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRODAT 1 (TC-99M)

Common Name

English

TECHNETIUM-99TC, (2-((2-((((1R,2R,3S,5S)-3-(4-CHLOROPHENYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-2-YL)METHYL)(2-(MERCAPTO-.KAPPA.S)ETHYL)AMINO-.KAPPA.N)ETHYL)AMINO-.KAPPA.N)ETHANETHIOLATO(3-)-.KAPPA.S)OXO-, (SP-5-35)-

Common Name

English

TC-99M TRODAT-1

Common Name

English

TECHNETIUM-99 TRODAT 1

Common Name

English

TECHNITIUM TC-99M 2-((2-(((3-(4-CHLOROPHENYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-2-YL)METHYL)(2-MERCAPTOETHYL)AMINO)ETHYL)AMINO)ETHANETHIOL (1R-(EXO-EXO))

Systematic Name

English

Code System Code Type Description

CAS

184677-53-0

Created by admin on Fri Dec 15 15:30:56 GMT 2023 , Edited by admin on Fri Dec 15 15:30:56 GMT 2023

PRIMARY

PUBCHEM

131801077

Created by admin on Fri Dec 15 15:30:56 GMT 2023 , Edited by admin on Fri Dec 15 15:30:56 GMT 2023

PRIMARY

FDA UNII

ULU42WOC7I

Created by admin on Fri Dec 15 15:30:56 GMT 2023 , Edited by admin on Fri Dec 15 15:30:56 GMT 2023

PRIMARY

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