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| Name |
Iotroxic acid |
EINECS | N/A |
| CAS No. | 51022-74-3 | Density | 2.648g/cm3 |
| PSA | 167.47000 | LogP | 6.63660 |
| Solubility | 304mg/L at 20℃ | Melting Point |
N/A |
| Formula | C22H18 I6 N2 O9 | Boiling Point | 938.8°C at 760 mmHg |
| Molecular Weight | 1215.82 | Flash Point | 521.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intravenous route. When heated to decomposition it emits toxic fumes of I− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Biliscopin;Iotroxic acid |
Iotroxic acid Chemical Properties
Empirical Formula of Iotroxic acid (CAS NO.51022-74-3): C22H18I6N2O9
Molecular Weight: 1215.8131
EINECS: 256-917-3
Index of Refraction: 1.787
Density: 2.648 g/cm3
Flash Point: 521.6 °C
Enthalpy of Vaporization: 143.1 kJ/mol
Boiling Point: 938.8 °C at 760 mmHg
Structure of Iotroxic acid (CAS NO.51022-74-3):
.png)
IUPAC Name: 3-[[2-[2-[2-[2-(3-Carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid
Canonical SMILES: C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
InChI: InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
InChIKey: JXMIBUGMYLQZGO-UHFFFAOYSA-N
Iotroxic acid Uses
Iotroxic acid (CAS NO.51022-74-3) is a molecule used as a contrast medium.
Iotroxic acid Toxicity Data With Reference
| 1. | scu-rat LD50:7100 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),637. | ||
| 2. | ivn-rat LD50:4190 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),637. | ||
| 3. | ipr-mus LD50:5250 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),637. | ||
| 4. | scu-mus LD50:6500 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),637. | ||
| 5. | ivn-mus LD50:2820 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 13 (1982),637. |
Iotroxic acid Safety Profile
Moderately toxic by intravenous route. When heated to decomposition emits toxic fumes of I− and NOx.
Iotroxic acid Specification
Iotroxic acid , its cas register number is 51022-74-3. It also can be called 3-{2-[2-(2-{[(3-Carboxy-2,4,6-triiodophenyl)carbamoyl]methoxy}ethoxy)ethoxy]acetamido}-2,4,6-triiodobenzoic acid .
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