- Iothalamate methylglucamine
- Iothalamate sodium
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| Name |
Iothalamate methylglucamine |
EINECS | N/A |
| CAS No. | 13087-53-1 | Density | N/A |
| PSA | 215.66000 | LogP | 0.77350 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H9I3N2O4•C7H17NO5 | Boiling Point | 967.6°C at 760 mmHg |
| Molecular Weight | 809.133 | Flash Point | 539°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison intracerebral routes. Human systemic effects: convulsions. When heated to decomposition it emits very toxic fumes of NOx and I−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Iothalamate methylglucamine Chemical Properties
IUPAC: 3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Iothalamate methylglucamine with CAS NO. of 13087-53-1 is also called for Conray ; Conray 280 ; Conray 30 ; Conray 43 ; Conray 60 ; Conray meglumin ; Conray meglumine 282 ; Contrix 28 ; Cysto-Conray ; Cysto-conray II ; EINECS 235-998-9 ; Iotalamate de methylglucamine ; Iothalamate meglumine ; Iothalamate methylglucamine salt ; Iothalamic acid N-methylgucamine salt ; Jotalamsaeure methylglucaminesalz ; Meglumine conray ; Meglumine iotalamate ; Meglumine iothalamate ; Meglumine isothalamate ; Methylglucamine iotalamate ; Methylglucamine iothalamate ; 1-Deoxy-1-(methylamino)-D-glucitol 5-acetamido-2,4,6-triiodo-N-methylisophthalamate (salt) ; Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1) and so on.
Molecular Weight: 809.12
Molecular Formula: C18H26I3N3O9
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -3.51
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 3
Heavy Atom Count: 33
Formal Charge: 0
Complexity: 555
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 4
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 2
Flash Point: 268.4°C
Enthalpy of Vaporization: 83.5 kJ/mol
Boiling Point: 520.2°C at 760 mmHg
Vapour Pressure: 1.2E-11 mmHg at 25°C
The molecular structure of Iothalamate methylglucamine with CAS NO. of 13087-53-1:
Iothalamate methylglucamine Uses
Iothalamate methylglucamine (CAS NO. 13087-53-1) is used as therapeutic agent.
Iothalamate methylglucamine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | intraperitoneal | 14gm/kg (14000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 222, 1965. |
| mouse | LD50 | intracrebral | 220mg/kg (220mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 222, 1965. | |
| mouse | LD50 | intraperitoneal | 22741mg/kg (22741mg/kg) | Acta Radiologica, Supplementum. Vol. 335, Pg. 5, 1973. | |
| mouse | LD50 | intravenous | 8100mg/kg (8100mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 222, 1965. |
| rabbit | LD50 | intravenous | 18065mg/kg (18065mg/kg) | Acta Radiologica, Supplementum. Vol. 335, Pg. 5, 1973. | |
| rat | LD50 | intracrebral | 205mg/kg (205mg/kg) | Drugs in Japan Vol. 6, Pg. 64, 1982. | |
| rat | LD50 | intraperitoneal | 19800mg/kg (19800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 222, 1965. |
| rat | LD50 | intravenous | 10500mg/kg (10500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 222, 1965. |
| rat | LD50 | unreported | 13600mg/kg (13600mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 26, Pg. 921, 1984. | |
| women | TDLo | intracrebral | 20mg/kg (20mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Anaesthesia. Vol. 27, Pg. 454, 1972. |
Iothalamate methylglucamine Safety Profile
Poison intracerebral routes. Human systemic effects: convulsions. When heated to decomposition it emits very toxic fumes of NOx and I−.
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