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Mebrofenin

Mebrofenin structure

CAS No:
78266-06-5
Formula:
C15H19BrN2O5
Chemical Name:
Mebrofenin
Synonyms:
Glycine,N-[2-[(3-bromo-2,4,6-trimethylphenyl)amino]-2-oxoethyl]-N-(carboxymethyl)-;N-[2-[(3-Bromo-2,4,6-trimethylphenyl)amino]-2-oxoethyl]-N-(carboxymethyl)glycine;Mebrofenin;SQ 26962;2: PN: US20040033243 PAGE: 23 claimed protein;2,2′-((2-((3-Bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)azanediyl)diacetic acid;(3-Bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid
Categories:
Analytical Chemistry > Standard

Description

Mebrofenin (SQ 26962) is a type of iminodiacetic acid (IDA). Mebrofenin is available as a ready to use the kit for radio-labeling with Tc-99m. Tc-99m Mebrofenin, a diagnostic agent, is used for hepatobiliary imaging. Tc-99m Mebrofenin is the radiopharmaceutical of choice for the evaluation of hepatic function[1][2].

Mebrofenin is an amino acid amide.

Mebrofenin Basic Attributes

Molecular Weight：

387.23

Exact Mass：

387.23

EC Number：

278-877-6

UNII：

7PV0B6ED98

DSSTox ID：

DTXSID1046891

HScode：

2924299090

Characteristics

PSA：

107

XLogP3：

1.85700

Density：

1.5766 (rough estimate)

Melting Point：

198-200 °C

Boiling Point：

577.4ºC at 760 mmHg

Flash Point：

303ºC

Refractive Index：

1.6520 (estimate)

Water Solubility：

soluble in dimethylsulphoxide and ethanol. Insoluble in water.

Toxicity：

LD50 in mice, rats (mg/kg): 213.8, 226.4 i.v. (Jiang)

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

36/37/38

safety instructions：

24/25

RTECS Number：

MB9121850

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

((((3-Bromomesityl)carbamoyl)methyl)imino)diacetic acid

Mebrofenin Use and Manufacturing

Uses

Diagnostic aid (hepatobiliary function determination).

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:387.23
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:386.04773
Monoisotopic Mass:386.04773
Topological Polar Surface Area:107
Heavy Atom Count:23
Complexity:443
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes