Product Name

  • Name

    iotroxic acid

  • EINECS
  • CAS No. 51022-74-3
  • Density 2.648g/cm3
  • Solubility 304mg/L at 20℃
  • Melting Point
  • Formula C22H18 I6 N2 O9
  • Boiling Point 938.8°C at 760 mmHg
  • Molecular Weight 1215.82
  • Flash Point 521.6°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intravenous route. When heated to decomposition it emits toxic fumes of I and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 51022-74-3 (iotroxic acid)
  • Hazard Symbols
  • Synonyms Biliscopin;Iotroxic acid
  • PSA 167.47000
  • LogP 6.63660

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):
                      
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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