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Ioglucomide
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Name

Ioglucomide

 EINECS N/A
CAS No. 63941-74-2 Density 2.415g/cm3
PSA 289.60000 LogP -3.85430
Solubility N/A Melting Point 146°C
Formula C20H28 I3 N3 O13 Boiling Point 1290.3°C at 760 mmHg
Molecular Weight 899.168 Flash Point 734.2°C
Transport Information N/A Appearance N/A
Safety Poison by intracerebral route. When heated to decomposition it emits toxic fumes of I− and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 63941-74-2 (Ioglucomide) Hazard Symbols N/A
Synonyms

3,5-Bisgluconamido-2,4,6-triiodo-N-methylbenzamide;Ioglucomide; MP 8000; MP 8000 (pharmaceutical)

 

Ioglucomide Chemical Properties

Product Name: Ioglucomide (CAS NO.63941-74-2)


Molecular Formula: C20H28I3N3O13
Molecular Weight: 899.21g/mol
Mol File: 63941-74-2.mol
Boiling point: 1290.3 °C at 760 mmHg
Flash Point: 734.2 °C
Density: 2.415 g/cm3
Surface Tension: 115 dyne/cm
Enthalpy of Vaporization: 202.54 kJ/mol
XLogP3-AA: -3.7
H-Bond Donor: 13
H-Bond Acceptor: 13
Structure Descriptors of Ioglucomide (CAS NO.63941-74-2):
  IUPAC Name: 2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
  Canonical SMILES: CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C(C(C(C(CO)O)O)O)O)I)NC(=O)C(C(C(C(CO)O)O)O)O)I
  Isomeric SMILES: CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)I)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)I
  InChI: InChI=1S/C20H28I3N3O13/c1-24-18(37)6-7(21)10(25-19(38)16(35)14(33)12(31)4(29)2-27)9(23)11(8(6)22)26-20(39)17(36)15(34)13(32)5(30)3-28/h4-5,12-17,27-36H,2-3H2,1H3,(H,24,37)(H,25,38)(H,26,39)/t4-,5-,12-,13-,14+,15+,16-,17-/m1/s1 
  InChIKey: ASFIRRNYUOVVLY-JVOWFEOISA-N

Ioglucomide Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 22700mg/kg (22700mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Radiology. Vol. 140, Pg. 713, 1981.
mouse LD50 intravenous 16200mg/kg (16200mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Radiology. Vol. 140, Pg. 713, 1981.
rabbit LD50 intravenous 23800mg/kg (23800mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Radiology. Vol. 140, Pg. 713, 1981.
rat LD50 intracrebral 365mg/kg (365mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Radiology. Vol. 140, Pg. 713, 1981.
rat LD50 intravenous 15600mg/kg (15600mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Radiology. Vol. 140, Pg. 713, 1981.

Ioglucomide Safety Profile

Poison by intracerebral route. When heated to decomposition it emits toxic fumes of I− and NOx.

Ioglucomide Specification

 Ioglucomide ,its CAS NO. is 63941-74-2,the synonyms is 3,5-Bis-D-gluconamido-2,4,6-triiodo-N-methylbenzamide ; BRN 3026504 ; D-Gluconamide, N,N'-(2,4,6-triiodo-5-((methylamino)carbonyl)-1,3-phenylene)bis- ; Ioglucomidum ; MP 8000 ; N,N'-(2,4,6-Triiodo-5-((methylamino)carbonyl)-1,3-phenylene)bis-D-gluconamide ; N,N'-(2,4,6-Triiodo-5-(methylcarbamoyl)-m-phenylene)bis(D-gluconamide) ; UNII-771V8M13LT .

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