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Substance Name: Metrizoic Acid [JAN]
RN: 1949-45-7
UNII: CM1N99QR1M
InChIKey: GGGDNPWHMNJRFN-UHFFFAOYSA-N

Note

  • A diagnostic radiopaque that usually occurs as the sodium salt.

Molecular Formula

  • C12-H11-I3-N2-O4

Molecular Weight

  • 627.929
 

Classification Codes

  • Contrast Media
  • Diagnostic Uses of Chemicals
  • Drug / Therapeutic Agent
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Names and Synonyms

Results Name

  • Metrizoic Acid [JAN]

Name of Substance

  • Metrizoate
  • Metrizoic Acid [JAN]

MeSH Heading

  • Metrizoic acid

Synonyms

  • Acide metrizoique
  • Acidum metrizoicum
  • Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-
  • BRN 2822724
  • EINECS 217-761-1
  • Metrizoate
  • Metrizoic acid
  • UNII-CM1N99QR1M

Systematic Names

  • 3-Acetamido-2,4,6-triiodo-5-N-methylacetamidobenzoic acid
  • Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-
  • Benzoic acid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-

Registry Numbers

CAS Registry Number

  • 1949-45-7

FDA UNII

  • CM1N99QR1M

System Generated Number

  • 0001949457

Structure Descriptors

InChI

1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)

InChIKey

GGGDNPWHMNJRFN-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(O)=O)NC(C)=O)I)N(C(C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intracrebral 234mg/kg (234mg/kg)   Drugs in Japan Vol. 6, Pg. 843, 1982.
mouse LD50 intravenous 10gm/kg (10000mg/kg)   Farmaco, Edizione Scientifica. Vol. 17, Pg. 340, 1962.
mouse LD50 oral > 46800ug/kg (46.8mg/kg)   Drugs in Japan Vol. 6, Pg. 843, 1982.
mouse LD50 subcutaneous 36gm/kg (36000mg/kg)   Drugs in Japan Vol. 6, Pg. 843, 1982.
rat LD50 intravenous 14300mg/kg (14300mg/kg)   Drugs in Japan Vol. 6, Pg. 843, 1982.
rat LD50 oral 38100mg/kg (38100mg/kg)   Drugs in Japan Vol. 6, Pg. 843, 1982.
rat LD50 subcutaneous 29600mg/kg (29600mg/kg)   Drugs in Japan Vol. 6, Pg. 843, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 281.5 deg C   EXP
log P (octanol-water) 1.580 (none)   EST
Atmospheric OH Rate Constant 9.91E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.