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Substance Name: Iodophthalein
RN: 386-17-4
UNII: R2CC46UA50
InChIKey: FWQKRBDABCRWKV-UHFFFAOYSA-N

Molecular Formula

  • C20-H10-I4-O4

Molecular Weight

  • 821.895
 
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Names and Synonyms

Name of Substance

  • Iodophthalein
  • Iodophthalein sodium free acid

Synonyms

  • 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3,5-diiodophenyl)-
  • 3',3'',5',5''-Tetraiodophenolphthalein
  • 4-18-00-01949 (Beilstein Handbook Reference)
  • BRN 0351654
  • EINECS 206-857-9
  • Iodophene
  • Jodphthaleinum
  • UNII-R2CC46UA50

Systematic Names

  • 3,3-Bis(4-hydroxy-3,5-diiodophenyl)-1(3H)-isobenzofuranone
  • 3,3-Bis(4-hydroxy-3,5-diiodophenyl)phthalide
  • Phenolphthalein, 3',3'',5',5''-tetraiodo-

Registry Numbers

CAS Registry Number

  • 386-17-4

FDA UNII

  • R2CC46UA50

Related Registry Number

  • 2217-44-9 (di-hydrochloride salt)

System Generated Number

  • 0000386174

Structure Descriptors

InChI

1S/C20H10I4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H

InChIKey

FWQKRBDABCRWKV-UHFFFAOYSA-N

Smiles

C1(OC(=O)c2c1cccc2)(c1cc(I)c(c(c1)I)O)c1cc(I)c(c(c1)I)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral 79200ug/kg (79.2mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Veterinariya. Veterinary Science. Vol. 54(5), Pg. 64, 1978.
rat LD50 intravenous 310mg/kg (310mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Klinische Wochenscrift. Vol. 20, Pg. 125, 1941.
rat LD50 oral 2800mg/kg (2800mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Klinische Wochenscrift. Vol. 20, Pg. 125, 1941.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 228 dec deg C   EXP
log P (octanol-water) 7.730 (none)   EST
Atmospheric OH Rate Constant 6.77E-12 cm3/molecule-sec 25 EST

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