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| CAS No.: | 59017-64-0 |
|---|---|
| Name: | IOXAGLIC ACID (100 MG) |
| Molecular Structure: | |
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|
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| Formula: | C24H21I6N5O8 |
| Molecular Weight: | 1268.90 |
| Synonyms: | 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;Ioxaglic acid; |
| Density: | 2.545g/cm3 |
| Melting Point: | 302°C |
| Boiling Point: | 887.9°C at 760 mmHg |
| Flash Point: | 490.8°C |
| Safety: | Mildly toxic by intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of I−, Na2O, and NOx. An herbicide. |
| PSA: | 194.24000 |
| LogP: | 4.69100 |
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Chemistry
Empirical Formula of Ioxaglic acid (CAS NO.59017-64-0): C24H21I6N5O8
Molecular Weight: 1268.8791 g/mol
Index of Refraction: 1.786
Density: 2.545 g/cm3
Flash Point: 490.8 °C
Enthalpy of Vaporization: 135.2 kJ/mol
Boiling Point: 887.9 °C at 760 mmHg
Vapour Pressure: 8.09E-34 mmHg at 25 °C
Structure of Ioxaglic acid (CAS NO.59017-64-0):
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IUPAC Name: 3-[[2-[[3-[Acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Canonical SMILES: CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)
NCCO)I)I)C(=O)NC)I
InChI: InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)
InChIKey: TYYBFXNZMFNZJT-UHFFFAOYSA-N
Uses
Ioxaglic acid (CAS NO.59017-64-0) is a molecule used as a contrast medium.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | > 10700mg/kg (10700mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 474, 1987. | |
| mouse | LD50 | intraperitoneal | > 37300mg/kg (37300mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 474, 1987. | |
| mouse | LD50 | intravenous | > 13300mg/kg (13300mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 2411, 1985. |
| rabbit | LD50 | intravenous | > 10700mg/kg (10700mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 474, 1987. | |
| rat | LD50 | intracrebral | 102mg/kg (102mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 474, 1987. | |
| rat | LD50 | intravenous | 13300mg/kg (13300mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 2411, 1985. |
| rat | LD50 | oral | 13300mg/kg (13300mg/kg) | Drugs in Japan Vol. -, Pg. 99, 1990. |
Safety Profile
Mildly toxic by intravenous route. Experimental reproductive effects. When heated to decomposition emits toxic fumes of I−, Na2O, and NOx. An herbicide.
Specification
Ioxaglic acid , its cas register number is 59017-64-0. It also can be called Ioxaglate ; Benzoic acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo- ; and N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid .