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Details

Stereochemistry ACHIRAL
Molecular Formula C13H22N4O5
Molecular Weight 314.3376
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 13-Oxo-1,4,7,10-tetraazabicyclo[8.2.1]tridecane-4,7-diacetic acid

SMILES

OC(=O)CN1CCN2CCN(CCN(CC(O)=O)CC1)C2=O

InChI

InChIKey=JYSLQCINSTWPIO-UHFFFAOYSA-N
InChI=1S/C13H22N4O5/c18-11(19)9-14-1-2-15(10-12(20)21)4-6-17-8-7-16(5-3-14)13(17)22/h1-10H2,(H,18,19)(H,20,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
13-Oxo-1,4,7,10-tetraazabicyclo[8.2.1]tridecane-4,7-diacetic acid
Systematic Name English
1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic acid, 13-oxo-
Systematic Name English
2,2'-(13-oxo-1,4,7,10-tetraazabicyclo[8.2.1]tridecane-4,7-diyl)diacetic acid
Systematic Name English
2-[7-(carboxymethyl)-13-oxo-1,4,7,10-tetraazabicyclo[8.2.1]tridecan-4-yl]acetic acid
Systematic Name English
Code System Code Type Description
CAS
229312-33-8
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
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PUBCHEM
9948746
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
PRIMARY
FDA UNII
5M3RY77XC6
Created by admin on Sat Dec 16 19:49:25 GMT 2023 , Edited by admin on Sat Dec 16 19:49:25 GMT 2023
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