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Substance Name: Bisoxatin acetate [USAN:JAN]
RN: 14008-48-1
UNII: 79W5LFS83K
InChIKey: ZCBJDQBSLZREAA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Laxative

Molecular Formula

  • C24-H19-N-O6

Molecular Weight

  • 417.415
 
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Names and Synonyms

Name of Substance

  • Bisoxatin acetate
  • Bisoxatin acetate [USAN:JAN]

Synonyms

  • 2,2-Bis(4-(acetyloxy)phenyl)-2H-1,4-benzoxazin-3(4H)-one diacetate
  • 2,2-Bis(4-acetoxyphenyl)-3-oxo-2,3-dihydrobenz-1,4-oxazine
  • 2,2-Bis(p-hydroxyphenyl)-2H-1,4-benzoazin-3(4H)-one diacetate
  • 2,2-Bis(p-hydroxyphenyl)-2H-1,4-benzoxazin-3(4H)-one diacetate
  • 2H-1,4-Benzoazin-3(4H)-one, 2,2-bis(4-(acetoxy)phenyl)-
  • 2H-1,4-Benzoxazin-3(4H)-one, 2,2-bis(4-(acetyloxy)phenyl)-
  • Bisoxatin acetate
  • BRN 0589169
  • EINECS 237-820-5
  • Exodol
  • Kritel Tropfen
  • Laxonalin
  • Maratan
  • Metrolax
  • Talsis
  • Tasis
  • UNII-79W5LFS83K
  • WY 8138
  • Wy-8138
  • Wylaxine

Systematic Names

  • 2,2-Bis(4-acetoxyphenyl)-2H-1,4-benzoxazin-3(4H)-one
  • 2H-1,4-Benzoxazin-3(4H)-one, 2,2-bis(4-(acetyloxy)phenyl)-
  • 2H-1,4-Benzoxazin-3-(4H)-one, 2,2-bis(p-hydroxyphenyl)-, diacetate

Registry Numbers

CAS Registry Number

  • 14008-48-1

FDA UNII

  • 79W5LFS83K

System Generated Number

  • 0014008481

Structure Descriptors

InChI

1S/C24H19NO6/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)23(28)25-21-5-3-4-6-22(21)31-24/h3-14H,1-2H3,(H,25,28)

InChIKey

ZCBJDQBSLZREAA-UHFFFAOYSA-N

Smiles

C1(c2ccc(OC(C)=O)cc2)(c2ccc(OC(C)=O)cc2)Oc2c(cccc2)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat LD50 oral 8gm/kg (8000mg/kg)   Drugs in Japan Vol. 6, Pg. 609, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 190 deg C   EXP
log P (octanol-water) 3.560 (none)   EST
Atmospheric OH Rate Constant 1.76E-11 cm3/molecule-sec 25 EST

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