BMS-181321

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H25N7O4.OTc.H
Molecular Weight	495.3278
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0
Stereo Comments	J Med Chem, 37, 9-17 (1994), https://pubs.acs.org/doi/pdf/10.1021/jm00027a002

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BACDTMMAFRHWHW-KTZCKAEQSA-M

InChI=1S/C16H27N7O4.O.Tc/c1-12(20-24)15(2,3)18-7-6-8-19-16(4,5)13(21-25)11-22-10-9-17-14(22)23(26)27;;/h9-10,24-25H,6-8,11H2,1-5H3;;/q-2;;+3/p-1/b20-12+,21-13+;;/i;;1+1

HIDE SMILES / InChI

Molecular Formula	C16H25N7O4
Molecular Weight	379.4142
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:17:20 UTC 2023` Edited by `admin` on `Sat Dec 16 09:17:20 UTC 2023`
Record UNII	48JMI4M3B3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-181321

Common Name

English

TECHNETATE(1-)-99MTC, (3-((3-((2-(HYDROXYIMINO)-1,1-DIMETHYLPROPYL)AMINO)PROPYL)AMINO)-3-METHYL-1-(2-NITRO-1H-IMIDAZOL-1-YL)-2-BUTANONE OXIMATO(4-)-N2,N3,N3',N3'')OXO-, HYDROGEN, (SP-5-15)-

Common Name

English

Code System Code Type Description

PUBCHEM

9577288

Created by admin on Sat Dec 16 09:17:20 UTC 2023 , Edited by admin on Sat Dec 16 09:17:20 UTC 2023

PRIMARY

CAS

149447-21-2

Created by admin on Sat Dec 16 09:17:20 UTC 2023 , Edited by admin on Sat Dec 16 09:17:20 UTC 2023

PRIMARY

FDA UNII

48JMI4M3B3

Created by admin on Sat Dec 16 09:17:20 UTC 2023 , Edited by admin on Sat Dec 16 09:17:20 UTC 2023

PRIMARY

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