CAS 136949-58-1|Iobitridol

Introduction：Basic information about CAS 136949-58-1|Iobitridol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Synonyms

Common Name	Iobitridol
CAS Number	136949-58-1	Molecular Weight	835.164
Density	2.2±0.1 g/cm3	Boiling Point	1010.9±65.0 °C at 760 mmHg
Molecular Formula	C₂₀H₂₈I₃N₃O₉	Melting Point	196-199°C
MSDS	/	Flash Point	565.2±34.3 °C

Names

Name	iobitridol
Synonym	More Synonyms

Chemical & Physical Properties

Density	2.2±0.1 g/cm3
Boiling Point	1010.9±65.0 °C at 760 mmHg
Melting Point	196-199°C
Molecular Formula	C₂₀H₂₈I₃N₃O₉
Molecular Weight	835.164
Flash Point	565.2±34.3 °C
Exact Mass	834.895935
PSA	191.10000
LogP	-3.23
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.726
InChIKey	YLPBXIKWXNRACS-UHFFFAOYSA-N
SMILES	CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
Storage condition	Refrigerator

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ2229500

CHEMICAL NAME :: 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((5-hydroxy-2-(hydrox ymethyl)- 1-oxopropyl)amino)-2,4,6-triiodo-N,N'-dimethyl-

CAS REGISTRY NUMBER :: 136949-58-1

LAST UPDATED :: 199703

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C20-H28-I3-N3-O9

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 33785 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 400,17,1996

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 36418 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes

REFERENCE :: ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 400,17,1996

Synonyms

Optiject

1,3-Benzenedicarboxamide, N,N-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)-1-oxopropyl]amino]-2,4,6-triiodo-N,N-dimethyl-

N,N'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylbenzene-1,3-dicarboxamide

Xenetix

Iobitridol [INN]

1,3-Benzenedicarboxamide,N,N'-bis(2,3-dihydroxypropyl)-5-((5-hydroxy-2-(hydroxymethyl)-1-oxopropyl)amino)-2,4,6-triiodo-N,N'-dimethyl

Iobitridol

N,N'-Bis(2,3-dihydroxypropyl)-5-((5-hydroxy-2-(hydroxymethyl)-1-oxopropyl)amino)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide

Xenetix 300

1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

N,N'-Bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylisophthalamide

N,N'-Bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide

Iobitridol (JAN/INN)

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