TECHNETIUM TC-99M TROFOLASTAT CATION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42N10O20.3CO.Tc.5H
Molecular Weight	1134.7606
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of TECHNETIUM TC-99M TROFOLASTAT CATION

Structure Search

SMILES

[H+].[H+].[H+].[H+].[H+].[99Tc+4].[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]C(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)N[C@@H](CCCCN(CC1=NC=CN1CC(=O)N(CC([O-])=O)CC([O-])=O)CC2=NC=CN2CC(=O)N(CC([O-])=O)CC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O

InChI

InChIKey=RQPDXUDTXCPYGU-OIOJJZKLSA-K

InChI=1S/C37H50N10O20.3CO.Tc/c48-26(6-4-22(35(63)64)41-37(67)42-23(36(65)66)5-7-29(51)52)40-21(34(61)62)3-1-2-10-43(13-24-38-8-11-44(24)15-27(49)46(17-30(53)54)18-31(55)56)14-25-39-9-12-45(25)16-28(50)47(19-32(57)58)20-33(59)60;3*1-2;/h8-9,11-12,21-23H,1-7,10,13-20H2,(H,40,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,41,42,67);;;;/q;;;;+4/p-3/t21-,22-,23-;;;;/m0..../s1/i;;;;1+1

HIDE SMILES / InChI

Molecular Formula	C37H42N10O20
Molecular Weight	946.7844
Charge	-8
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Tc
Molecular Weight	98.9063
Charge	4
Count

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

Molecular Formula	CO
Molecular Weight	28.0101
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:15:21 UTC 2023` Edited by `admin` on `Sat Dec 16 05:15:21 UTC 2023`
Record UNII	W23EFJ3KDD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TECHNETIUM TC-99M TROFOLASTAT CATION

Common Name

English

(OC-6-33)-TRICARBONYL(N2-(((1S)-1,3-DICARBOXYPROPYL)CARBAMOYL)-L-.GAMMA.-GLUTAMYL-N6,N6-BIS((1-(2-(BIS(CARBOXYMETHYL)AMINO)-2-OXOETHYL)-1H-IMIDAZOL-2-YL-.KAPPA.N3)METHYL)-L-LYSINE-.KAPPA.N6)(99MTC)TECHNETIUM(+)

Common Name

English

Code System Code Type Description

CAS

1333204-77-5

Created by admin on Sat Dec 16 05:15:21 UTC 2023 , Edited by admin on Sat Dec 16 05:15:21 UTC 2023

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PUBCHEM

165411861

Created by admin on Sat Dec 16 05:15:21 UTC 2023 , Edited by admin on Sat Dec 16 05:15:21 UTC 2023

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FDA UNII