ChemicalBook--->CAS DataBase List--->78266-06-5

78266-06-5

78266-06-5 Structure

78266-06-5 Structure
IdentificationBack Directory
[Name]

(3-BROMO-2,4,6-TRIMETHYLPHENYLCARBAMOYL)METHYLIMINODIACETIC ACID
[CAS]

78266-06-5
[Synonyms]

cine
SQ26962
choletec
MEBROFENIN
tc-99m-tmbida
Mebrofenin (100 mg)
((((3-bromomesityl)carbamoyl)methyl)imino)diaceticacid
(3-BROMO-2,4,6-TRIMETHYLPHENYLCARBAMOYL)METHYLIMINODIACETIC ACID
N-(3-BROMO-2,4,6-TRIMETHYLPHENYLCARBAMOYLMETHYL)IMINODIACETIC ACID
(3-Bromo-2,4,6,-Trimethylphenyl Carbmoyl)Methyliminodicetic Acid
(3-Bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid, 98+%
N-(3-Bromo-2,4,6-trimethylphenylcarbamoylmethyl)iminodiacetic acid,98%
n-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)-n-(carboxymethyl)gly
glycine,n-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)-n-(carboxymeth
N-[2-[(3-BROMO-2,4,6-TRIMETHYLPHENYL)-AMINO]-2-OXOETHYL]-N-(CARBOXYMETHYL)-GLYCINE
GLYCINE, N-[2-[(3-BROMO-2,4,6-TRIMETHYLPHENYL)-AMINO]-2-OXOETHYL]-N-(CARBOXYMETHYL)-
[EINECS(EC#)]

278-877-6
[Molecular Formula]

C15H19BrN2O5
[MDL Number]

MFCD00216974
[MOL File]

78266-06-5.mol
[Molecular Weight]

387.23
Chemical PropertiesBack Directory
[Appearance]

Colourless or brownish crystals
[Melting point ]

193-198 °C
[Boiling point ]

577.4±50.0 °C(Predicted)
[density ]

1.5766 (rough estimate)
[refractive index ]

1.6520 (estimate)
[storage temp. ]

2-8°C
[form ]

neat
[pka]

1.68±0.10(Predicted)
[color ]

White to off-white
[Water Solubility ]

Soluble in dimethylsulphoxide and ethanol. Insoluble in water.
[BRN ]

10474727
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)
[InChIKey]

MHPZZZZLAQGTHT-UHFFFAOYSA-N
[SMILES]

Brc1c(c(c(cc1C)C)NC(=O)CN(CC(=O)O)CC(=O)O)C
Hazard InformationBack Directory
[Chemical Properties]

Colourless or brownish crystals
[Uses]

(3-Bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid is used in the diagnostic field of medicine and in the assessment of hepatobillary transport.
[Uses]

Diagnostic aid (hepatobiliary function determination).
[Definition]

ChEBI: Mebrofenin is an amino acid amide.
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

24/25
[WGK Germany ]

WGK 3
[RTECS ]

MB9121850
[HS Code ]

2924296000
[Storage Class]

11 - Combustible Solids
[Toxicity]

LD50 in mice, rats (mg/kg): 213.8, 226.4 i.v. (Jiang)
Spectrum DetailBack Directory
[Spectrum Detail]

(3-BROMO-2,4,6-TRIMETHYLPHENYLCARBAMOYL)METHYLIMINODIACETIC ACID(78266-06-5)1HNMR
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