N-[S-Methanethiosulfonylcystaminyl]diethylenetriaminepentaacetic Acid

Modify Date: 2025-11-26 10:24:47

N-[S-Methanethiosulfonylcystaminyl]diethylenetriaminepentaacetic Acid Structure
N-[S-Methanethiosulfonylcystaminyl]diethylenetriaminepentaacetic Acid structure
Common Name N-[S-Methanethiosulfonylcystaminyl]diethylenetriaminepentaacetic Acid
CAS Number 1246817-77-5 Molecular Weight 530.57000
Density N/A Boiling Point N/A
Molecular Formula C17H30N4O11S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(2-methylsulfonylsulfanylethylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C17H30N4O11S2
Molecular Weight 530.57000
Exact Mass 530.13500
PSA 259.33000
InChIKey ILPYERMWLKPVCK-UHFFFAOYSA-N
SMILES CS(=O)(=O)SCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

 Synonyms

N-[S-Methanethiosulfonylcystaminyl]diethylenetriaminepentaacetic Acid,Monoamide (2:1 mixture of penta-acid to monoamide
Diethylenetriaminepentaacetic Acid-MTSEA
approximately)
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