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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H9I3N2O4.C6H14N2O2
Molecular Weight 760.1011
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LYSINE AMIDOTRIZOATE

SMILES

NCCCC[C@H](N)C(O)=O.CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I

InChI

InChIKey=PGWLUYCTYOGUBP-ZSCHJXSPSA-N
InChI=1S/C11H9I3N2O4.C6H14N2O2/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;7-4-2-1-3-5(8)6(9)10/h1-2H3,(H,15,17)(H,16,18)(H,19,20);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

HIDE SMILES / InChI

Molecular Formula C11H9I3N2O4
Molecular Weight 613.9136
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H14N2O2
Molecular Weight 146.1876
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:27:18 UTC 2023
Edited
by admin
on Sat Dec 16 05:27:18 UTC 2023
Record UNII
O08Q0N9P6D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LYSINE AMIDOTRIZOATE
WHO-DD  
Common Name English
PERITRAST 400 COMPONENT
Common Name English
L-LYSINE, 3,5-BIS(ACETYLAMINO)-2,4,6-TRIIODOBENZOATE (1:1)
Common Name English
COMPONENT OF PERITRAST 400
Common Name English
Lysine amidotrizoate [WHO-DD]
Common Name English
Code System Code Type Description
EVMPD
SUB14396MIG
Created by admin on Sat Dec 16 05:27:18 UTC 2023 , Edited by admin on Sat Dec 16 05:27:18 UTC 2023
PRIMARY
PUBCHEM
156987
Created by admin on Sat Dec 16 05:27:18 UTC 2023 , Edited by admin on Sat Dec 16 05:27:18 UTC 2023
PRIMARY
FDA UNII
O08Q0N9P6D
Created by admin on Sat Dec 16 05:27:18 UTC 2023 , Edited by admin on Sat Dec 16 05:27:18 UTC 2023
PRIMARY
SMS_ID
100000076790
Created by admin on Sat Dec 16 05:27:18 UTC 2023 , Edited by admin on Sat Dec 16 05:27:18 UTC 2023
PRIMARY
CAS
77035-55-3
Created by admin on Sat Dec 16 05:27:18 UTC 2023 , Edited by admin on Sat Dec 16 05:27:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID10227842
Created by admin on Sat Dec 16 05:27:18 UTC 2023 , Edited by admin on Sat Dec 16 05:27:18 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY