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Substance Name: Isophthalamide
RN: 1740-57-4
UNII: ZP57YML58I
InChIKey: QZUPTXGVPYNUIT-UHFFFAOYSA-N

Molecular Formula

  • C8-H8-N2-O2

Molecular Weight

  • 164.163
 
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Names and Synonyms

Name of Substance

  • Isophthalamide

Synonyms

  • 1-09-00-00372 (Beilstein Handbook Reference)
  • BRN 2045544
  • EINECS 217-104-9
  • Isophthalamide
  • Isophthalic acid diamide
  • m-Carbamoylbenzamide
  • m-Phthalamide
  • UNII-ZP57YML58I

Systematic Names

  • 1,3-Benzenedicarboxamide
  • Isophthaldiamide

Registry Numbers

CAS Registry Number

  • 1740-57-4

FDA UNII

  • ZP57YML58I

System Generated Number

  • 0001740574

Structure Descriptors

InChI

1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)

InChIKey

QZUPTXGVPYNUIT-UHFFFAOYSA-N

Smiles

NC(=O)c1cc(C(=O)N)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1261mg/kg (1261mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.
rat LD50 intraperitoneal 991mg/kg (991mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.21 (none)   EXP
Water Solubility 4850 mg/L 25 EST
Vapor Pressure 1.55E-07 mm Hg 25 EST
Henry's Law Constant 1.44E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.62E-12 cm3/molecule-sec 25 EST

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