TECHNETIUM TC-99M 5-OXA-PNAO

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H27N7O5.OTc
Molecular Weight	512.3351
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	2
Charge	1

SHOW SMILES / InChI

Structure of TECHNETIUM TC-99M 5-OXA-PNAO

Structure Search

SMILES

O=[99Tc+3].C\C(=N/[O-])C(C)(C)NCC(CN1C=CN=C1[N+]([O-])=O)ONC(C)(C)C(\C)=N\[O-]

InChI

InChIKey=YCWYKEIFNMLCQH-KQKUEPDFSA-L

InChI=1S/C16H29N7O5.O.Tc/c1-11(19-24)15(3,4)18-9-13(28-21-16(5,6)12(2)20-25)10-22-8-7-17-14(22)23(26)27;;/h7-8,13,18,21,24-25H,9-10H2,1-6H3;;/q;;+3/p-2/b19-11+,20-12+;;/i;;1+1

HIDE SMILES / InChI

Molecular Formula	OTc
Molecular Weight	114.9057
Charge	3
Count

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

Molecular Formula	C16H27N7O5
Molecular Weight	397.4295
Charge	-2
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	2
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:33:49 UTC 2023` Edited by `admin` on `Fri Dec 15 16:33:49 UTC 2023`
Record UNII	TZI66E7CFY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TECHNETIUM TC-99M 5-OXA-PNAO

Common Name

English

99MTC-5-OXA-PNAO

Common Name

English

BMS-194796

Code

English

BRU-59-21

Code

English

TECHNETIUM-99MTC, (3-((1-(((2-(HYDROXYIMINO-.KAPPA.N)-1,1-DIMETHYLPROPYL)AMINO-.KAPPA.N)METHYL)-2-(2-NITRO-1H-IMIDAZOL-1-YL)ETHOXY)AMINO-.KAPPA.N)-3-METHYL-2-BUTANONE OXIMATO(3-)-.KAPPA.N)OXO-, (SP-5-14)-

Systematic Name

English

Code System Code Type Description

CAS

161537-77-5

Created by admin on Fri Dec 15 16:33:49 UTC 2023 , Edited by admin on Fri Dec 15 16:33:49 UTC 2023

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PUBCHEM

138756755

Created by admin on Fri Dec 15 16:33:49 UTC 2023 , Edited by admin on Fri Dec 15 16:33:49 UTC 2023

PRIMARY

FDA UNII

TZI66E7CFY

Created by admin on Fri Dec 15 16:33:49 UTC 2023 , Edited by admin on Fri Dec 15 16:33:49 UTC 2023

PRIMARY

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TECHNETIUM TC-99M

ACTIVE MOIETY