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37723-78-7

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Basic Information
CAS No.: 37723-78-7
Name: iopronic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 37723-78-7 (iopronic acid)
Formula: C15H18 I3 N O5
Molecular Weight: 673.025
Synonyms: Bilimiro;Iopronic acid;Oravue;
EINECS: 253-643-6
Density: 2.149g/cm3
Melting Point: 130°C
Boiling Point: 674.2°Cat760mmHg
Flash Point: 361.5°C
Solubility: 20.08g/L(37 oC)
Safety: Moderately toxic by ingestion and intravenous routes. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of I− and NOx.
PSA: 84.86000
LogP: 4.03800
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Chemistry

Empirical Formula of Iopronic acid (CAS NO.37723-78-7): C15H18I3NO5
Molecular Weight: 673.0205 g/mol
EINECS: 253-643-6 
Index of Refraction: 1.67
Density: 2.149 g/cm3
Flash Point: 361.5 °C
Enthalpy of Vaporization: 104.01 kJ/mol
Boiling Point: 674.2 °C at 760 mmHg
Vapour Pressure: 4.26E-19 mmHg at 25 °C
Structure of Iopronic acid (CAS NO.37723-78-7):
                    
IUPAC Name: 2-[2-(3-Acetamido-2,4,6-triiodophenoxy)ethoxymethyl]butanoic acid
Canonical SMILES: CCC(COCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I)C(=O)O
InChI: InChI=1S/C15H18I3NO5/c1-3-9(15(21)22)7-23-4-5-24-14-11(17)6-10(16)13(12(14)18)19-8(2)20/h6,9H,3-5,7H2,1-2H3,(H,19,20)(H,21,22)
InChIKey: YMFIJXDFAPHJIN-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:5650 mg/kg

     FRPPAO    Farmaco, Edizione Pratica. 31 (1976),397.
2.    

ivn-rat LD50:1 g/kg

     MEIEDD    Merck Index. 10 (1983),732.
3.    

orl-mus LD50:1950 mg/kg

     FRPPAO    Farmaco, Edizione Pratica. 31 (1976),397.
4.    

ivn-mus LD50:1090 mg/kg

     43FLAV    Burgers Medicinal Chemistry. 4 (3)(1980),1153.
5.    

ivn-dog LD50:835 mg/kg

     MEIEDD    Merck Index. 10 (1983),732.

Safety Profile

Moderately toxic by ingestion and intravenous routes. Experimental reproductive effects. When heated to decomposition Iopronic acid (CAS NO.37723-78-7) emits very toxic fumes of I− and NOx.

Specification

 Iopronic acid , its cas register number is 37723-78-7. It also can be called Bilimiro ; (+-)-2-((2-(3-Acetamido-2,4,6-
triiodophenoxy)ethoxy)methyl)butyric acid ; and 2((3-Acetamino-2,4,6-triiodophenoxy)-2-ethoxy)methylbutyric acid .