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Metrizamide

Metrizamide structure

CAS No:
31112-62-6
Formula:
C18H22I3N3O8
Chemical Name:
Metrizamide
Synonyms:
D-Glucose,2-[[3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]amino]-2-deoxy-;D-Glucose,2-[3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzamido]-2-deoxy-;2-[[3-(Acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]amino]-2-deoxy-D-glucose;Metrizamide;Amipaque;Telebrix 300;2-[3-Acetamido-5-(N-methylacetamido)-2,4,6-triiodobenzamido]-2-deoxy-D-glucose;1087712-50-2
Categories:
Active Pharmaceutical Ingredients > Diagnostic Agents

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Description

white fine crystalline powder

Metrizamide Basic Attributes

Molecular Weight：

789.1

Exact Mass：

789.10

EC Number：

250-475-5

NSC Number：

379419

Characteristics

PSA：

168.66000

XLogP3：

-0.74

Appearance：

White Powder

Density：

2.3±0.1 g/cm3

Melting Point：

223 °C (decomp)

Boiling Point：

828.5±65.0 °C at 760 mmHg

Flash Point：

454.8±34.3 °C

Refractive Index：

1.761

Storage Conditions：

−20°C

Toxicity：

LD50 i.v. in mice: 15 g/kg (Torsten); 18.6 g/kg (Salveson); 11.5 g/kg (Sovak); 17.3 g/kg (Aspelin)

Specific rotation：

D20 +18.0° (c = 10% in 0.1N HCl; equilibrated with respect to mutarotation)

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

safety instructions：

22-24/25

RTECS Number：

LZ6650000

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Metrizamide Use and Manufacturing

Metrizamide is a X-ray contrast agent related to Metrizoic Acid (M338935). Metrizamide is used as an diagnostic aid (radiopaque medium).

Computed Properties

Molecular Weight:789.1
XLogP3:-0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:788.8541
Monoisotopic Mass:788.8541
Topological Polar Surface Area:169
Heavy Atom Count:32
Complexity:719
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes