3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid

Modify Date: 2025-08-25 17:51:44

3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid Structure
3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid structure
Common Name 3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
CAS Number 26090-54-0 Molecular Weight 1394.04000
Density 2.391g/cm3 Boiling Point 1118.1ºC at 760mmHg
Molecular Formula C32H32I6N4O10 Melting Point N/A
MSDS N/A Flash Point 630ºC

 Names

Name 3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 2.391g/cm3
Boiling Point 1118.1ºC at 760mmHg
Molecular Formula C32H32I6N4O10
Molecular Weight 1394.04000
Flash Point 630ºC
Exact Mass 1393.64000
PSA 198.86000
LogP 7.52080
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.77
InChIKey KEPNWUOCHSRHGY-UHFFFAOYSA-N
SMILES O=C(CCOCCOCCC(=O)Nc1c(I)c(CN2CCCC2=O)c(I)c(C(=O)O)c1I)Nc1c(I)c(CN2CCCC2=O)c(I)c(C(=O)O)c1I

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH0190740
CHEMICAL NAME :
Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2- oxo-1-pyrrolidinylmet hyl)- 2,4,6-triiodo-
CAS REGISTRY NUMBER :
26090-54-0
BEILSTEIN REFERENCE NO. :
1523603
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C32-H32-I6-N4-O10
MOLECULAR WEIGHT :
1394.08
WISWESSER LINE NOTATION :
T5NVTJ A1R BI DI FI CVQ EMV2O2O2VMR BI DI FI CVQ E1- AT5NVTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 28,912,1973

 Synonyms

2,4,6,2',4',6'-hexaiodo-5,5'-bis-(2-oxo-pyrrolidin-1-ylmethyl)-3,3'-(4,7-dioxa-decanedioyldiamino)-bis-benzoic acid
Benzoic acid,3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2-oxo-1-pyrrolidinylmethyl)-2,4,6-triiodo
3,3'-{ethane-1,2-diylbis[oxy(1-oxopropane-3,1-diyl)imino]}bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}
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