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Details

Stereochemistry ACHIRAL
Molecular Formula 2C16H20N2O5.Tc
Molecular Weight 739.5871
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TECHNETIUM TC-99M BUTILFENIN

SMILES

[99Tc+4].CCCCC1=CC=C(NC(=O)CN(CC([O-])=O)CC([O-])=O)C=C1.CCCCC2=CC=C(NC(=O)CN(CC([O-])=O)CC([O-])=O)C=C2

InChI

InChIKey=NWCXFSATWNRRSR-FCHARDOESA-J
InChI=1S/2C16H22N2O5.Tc/c2*1-2-3-4-12-5-7-13(8-6-12)17-14(19)9-18(10-15(20)21)11-16(22)23;/h2*5-8H,2-4,9-11H2,1H3,(H,17,19)(H,20,21)(H,22,23);/q;;+4/p-4/i;;1+1

HIDE SMILES / InChI

Molecular Formula Tc
Molecular Weight 98.9063
Charge 4
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H20N2O5
Molecular Weight 320.3404
Charge -2
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
0J544483OZ
Record Status Validated (UNII)
Record Version