TC-99M M-TRODAT

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 Search

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

Molecular Formula	OTc
Molecular Weight	114.0
Charge	3
Count

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

Molecular Formula	C22H37N3S2
Molecular Weight	407.679
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:46 GMT 2023` Edited by `admin` on `Fri Dec 15 15:48:46 GMT 2023`
Record UNII	H1G3G34F14
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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