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Details

Stereochemistry ACHIRAL
Molecular Formula 6C7H13NO.Tc
Molecular Weight 862.0116
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of TECHNETIUM TC-99M HEXAKISETHOXYISOBUTYLISONITRILE CATION

SMILES

[99Tc+].CCOC(C)(C)C[N+]#[C-].CCOC(C)(C)C[N+]#[C-].CCOC(C)(C)C[N+]#[C-].CCOC(C)(C)C[N+]#[C-].CCOC(C)(C)C[N+]#[C-].CCOC(C)(C)C[N+]#[C-]

InChI

InChIKey=WKAYNLPBWBPTIY-KTTJZPQESA-N
InChI=1S/6C7H13NO.Tc/c6*1-5-9-7(2,3)6-8-4;/h6*5-6H2,1-3H3;/q;;;;;;+1/i;;;;;;1+1

HIDE SMILES / InChI

Molecular Formula C7H13NO
Molecular Weight 127.1842
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Tc
Molecular Weight 98.906254554
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 Mon Mar 31 18:14:02 GMT 2025
Edited
by admin
on Mon Mar 31 18:14:02 GMT 2025
Record UNII
1SW00732ST
Record Status Validated (UNII)
Record Version
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Name Type Language
TECHNETIUM TC-99M HEXAKISETHOXYISOBUTYLISONITRILE CATION
Common Name English
TECHNETIUM TC-99M ETHOXYISOBUTYLISONITRILE
Preferred Name English
TECHNETIUM-(99)TC, HEXAKIS(2-ETHOXY-1-ISOCYANO-2- METHYLPROPANE)-, (OC-6-11)-
Systematic Name English
HEXAKIS(ETHOXYISOBUTYLISONITRILE)TECHNETIUM(I)
Systematic Name English
Code System Code Type Description
FDA UNII
1SW00732ST
Created by admin on Mon Mar 31 18:14:02 GMT 2025 , Edited by admin on Mon Mar 31 18:14:02 GMT 2025
PRIMARY
PUBCHEM
157850
Created by admin on Mon Mar 31 18:14:02 GMT 2025 , Edited by admin on Mon Mar 31 18:14:02 GMT 2025
PRIMARY
CAS
157409-47-7
Created by admin on Mon Mar 31 18:14:02 GMT 2025 , Edited by admin on Mon Mar 31 18:14:02 GMT 2025
PRIMARY
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