Product Name

  • Name

    Diatrizoate sodium

  • EINECS 212-004-1
  • CAS No. 737-31-5
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility H2O: 0.35 g/mL, slightly turbid, colorless
  • Melting Point 261-262° (dec)
  • Formula C11H9 I3 N2 O4 . Na
  • Boiling Point 614.1 °C at 760 mmHg
  • Molecular Weight 635.899
  • Flash Point 325.2 °C
  • Transport Information
  • Appearance
  • Safety 36
  • Risk Codes 42/43
  • Molecular Structure Molecular Structure of 737-31-5 (Diatrizoate sodium)
  • Hazard Symbols HarmfulXn
  • Synonyms Benzoicacid, 3,5-bis(acetylamino)-2,4,6-triiodo-, monosodium salt (9CI); Benzoic acid,3,5-diacetamido-2,4,6-triiodo-, monosodium salt (8CI); Benzoic acid,3,5-diacetamido-2,4,6-triiodo-, sodium salt (6CI);3,5-Diacetamido-2,4,6-triiodobenzoic acid sodium salt; Diatrizoate sodium;Hypaque; Hypaque 50; Hypaque sodium; Radioselectan; Sodium3,5-diacetamido-2,4,6-triiodobenzoate; Sodium amidotrizoate; Sodiumdiatrizoate; Triombrin; Triombrine; Urografic acid sodium salt; Urografin S;Urographing 370; Urovist 300
  • PSA 98.33000
  • LogP 1.92670

Synthetic route

diatrizoic acid
117-96-4

diatrizoic acid

sodium diatrizoate
737-31-5

sodium diatrizoate

Conditions
ConditionsYield
With sodium carbonate In water
sodium diatrizoate
737-31-5

sodium diatrizoate

chloroacetic acid ethyl ester
105-39-5

chloroacetic acid ethyl ester

Ethyl (3,5-bis(acetylamino)-2,4,6-triiodobenzoyloxy)acetate

Ethyl (3,5-bis(acetylamino)-2,4,6-triiodobenzoyloxy)acetate

Conditions
ConditionsYield
In N,N-dimethyl-formamide76%
In N,N-dimethyl-formamide76%
In N,N-dimethyl-formamide76%
In N,N-dimethyl-formamide for 6h;
diethyl 2-bromoethylphosphonate
5324-30-1

diethyl 2-bromoethylphosphonate

sodium diatrizoate
737-31-5

sodium diatrizoate

diethyl 2-(3,5-bis-acetylamino-2,4,6-triiodobenzoyloxy)ethylphosphonate

diethyl 2-(3,5-bis-acetylamino-2,4,6-triiodobenzoyloxy)ethylphosphonate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 12h;41%
C57H88BrNO14

C57H88BrNO14

sodium diatrizoate
737-31-5

sodium diatrizoate

C68H96I3N3O18

C68H96I3N3O18

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 18 - 25℃;10%
sodium diatrizoate
737-31-5

sodium diatrizoate

p-methoxybenzyl chloride
824-94-2

p-methoxybenzyl chloride

3,5-Bis-acetylamino-2,4,6-triiodo-benzoic acid 4-methoxy-benzyl ester

3,5-Bis-acetylamino-2,4,6-triiodo-benzoic acid 4-methoxy-benzyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide
diisopropyl 2-bromo-2-methylmalonate

diisopropyl 2-bromo-2-methylmalonate

sodium diatrizoate
737-31-5

sodium diatrizoate

Propanedioic acid, [[3,5-bis(acetylamino)-2,4,6-triiodobenzoyl]oxy]methyl-bis(1-methylethyl)ester
181827-33-8

Propanedioic acid, [[3,5-bis(acetylamino)-2,4,6-triiodobenzoyl]oxy]methyl-bis(1-methylethyl)ester

Conditions
ConditionsYield
With potassium hydrogencarbonate In water; dimethyl sulfoxide; N,N-dimethyl-formamide; isopropyl alcohol255 g (51%)
sodium diatrizoate
737-31-5

sodium diatrizoate

pyrographite
7440-44-0

pyrographite

2-bromobutyric acid ethyl ester
533-68-6

2-bromobutyric acid ethyl ester

ethyl 2-(3,5-bis(acetylamino)-2,4,6-triiodobenzoyloxy)butyrate

ethyl 2-(3,5-bis(acetylamino)-2,4,6-triiodobenzoyloxy)butyrate

Conditions
ConditionsYield
With ammonium hydroxide In N,N-dimethyl-formamide121 g (66%)
With ammonium hydroxide In N,N-dimethyl-formamide121 g (66%)
...Expand
chloroform-isopropanol

chloroform-isopropanol

sodium diatrizoate
737-31-5

sodium diatrizoate

p-methoxybenzyl chloride
824-94-2

p-methoxybenzyl chloride

3,5-Bis-acetylamino-2,4,6-triiodo-benzoic acid 4-methoxy-benzyl ester

3,5-Bis-acetylamino-2,4,6-triiodo-benzoic acid 4-methoxy-benzyl ester

Conditions
ConditionsYield
In water; N,N-dimethyl-formamide
In water; N,N-dimethyl-formamide
...Expand
sodium diatrizoate
737-31-5

sodium diatrizoate

C11H11N2O4(1-)

C11H11N2O4(1-)

Conditions
ConditionsYield
With hydrogen at 21℃; Mechanism; Reagent/catalyst; Concentration;
sodium diatrizoate
737-31-5

sodium diatrizoate

3,5-diamino-2,4,6-triiodobenzoic acid
5505-16-8

3,5-diamino-2,4,6-triiodobenzoic acid

Conditions
ConditionsYield
With hydrogenchloride In water for 6h; Reflux;
With hydrogenchloride In water for 6h; Reflux;

Diatrizoate sodium Chemical Properties

IUPAC Name: Sodium 3,5-diacetamido-2,4,6-triiodobenzoate
Synonyms of Sodium amidotrizoate (CAS NO.737-31-5): Sodium amidotrizoate ; 3,5-Diacetamido-2,4,6-triiodobenzoic acid sodium salt  
Molecular Structure : 
Molecular Formula  :C11H8I3N2NaO4
Molecular Weight : 635.90
CAS NO:737-31-5 
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 3
Polar Surface Area: 77.92 Å2
EINECS : 212-004-1
Mol File: 737-31-5.mol
Flash Point: 325.2 °C 
Enthalpy of Vaporization: 95.8 kJ/mol 
Boiling Point: 614.1 °C at 760 mmHg 
Vapour Pressure: 6.19E-16 mmHg at 25°C 
Solubility : H2O: 0.35 g/mL, slightly turbid, colorless
Product Categories of of Sodium amidotrizoate (CAS NO.737-31-5): Organics 
SMILES: [Na+].Ic1c(c(I)c(c(I)c1NC(=O)C)C([O-])=O)NC(=O)C
InChI: InChI=1/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1
InChIKey: ZEYOIOAKZLALAP-REWHXWOFAW
Std. InChI: InChI=1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1
Std. InChIKey: ZEYOIOAKZLALAP-UHFFFAOYSA-M

Diatrizoate sodium Uses

 Sodium amidotrizoate (CAS NO.737-31-5) is used as water-soluble contrast agent, excreted from the urine after intravenous administration. it is also commonly used in imaging of urinary tract, renal pelvis, cardiovascular and cerebral angiography.

Diatrizoate sodium Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 11300mg/kg (11300mg/kg)   Compilation of LD50 Values of New Drugs.
dog LD50 intravenous 13200mg/kg (13200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING		 Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 394, 1956.
mouse LD50 intramuscular 20349mg/kg (20349mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 307, 1956.
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Toksikologicheskii Vestnik. Vol. (3), Pg. 46, 1994.
mouse LD50 intravenous 14gm/kg (14000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 394, 1956.
mouse LD50 oral > 7gm/kg (7000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Toksikologicheskii Vestnik. Vol. (3), Pg. 46, 1994.
rabbit LD50 intravenous 12200mg/kg (12200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 394, 1956.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Toksikologicheskii Vestnik. Vol. (3), Pg. 46, 1994.
rat LD50 intravenous 11400mg/kg (11400mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 394, 1956.
rat LD50 oral > 7gm/kg (7000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Toksikologicheskii Vestnik. Vol. (3), Pg. 46, 1994.

Diatrizoate sodium Safety Profile

Hazard Codes:  HarmfulXn
Risk Statements: 42/43 
R42/43: May cause sensitization by inhalation and skin contact.
Safety Statements: 36 
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: DG6125000
F: 8-10

Diatrizoate sodium Specification

Consumption usage of Sodium amidotrizoate (CAS NO.737-31-5):
1. Retrograde pyelography: 20% 6 ~ 10ml. 2. Urography: 50% 20 ~ 30ml. 3. Cerebral angiography: 45% or less solution of 10ml. 4. Heart and great vessel angiography: 50% 40ml.
Note: Sodium amidotrizoate may cause nausea, vomiting, salivation, dizziness, urticaria and other reactions. It is banned to serious liver and kidney dysfunction, active tuberculosis, hyperthyroidism, and allergic to iodine. The adrenaline is available when allergic reactions and hypotension happen.

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