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Substance Name: Scoparone
RN: 120-08-1
UNII: H5841PDT4Y
InChIKey: GUAFOGOEJLSQBT-UHFFFAOYSA-N

Classification Codes

  • Anti-Arrhythmia Agents
  • Antihypertensive Agents
  • Cardiovascular Agents
  • Cholagogues and Choleretics
  • Drug / Therapeutic Agent
  • Gastrointestinal Agents
  • Reproductive Effect
  • Vasodilator Agents

Molecular Formula

  • C11-H10-O4

Molecular Weight

  • 206.196
 
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Names and Synonyms

Name of Substance

  • Scoparone

Synonyms

  • 5-18-03-00204 (Beilstein Handbook Reference)
  • 6,7-Dimethoxybenzopyran-2-one
  • 6,7-Dimethoxycoumarin
  • 6,7-Dimethylesculetin
  • Aesculetin dimethyl ether
  • BRN 0169572
  • EINECS 204-369-0
  • Escoparone
  • Esculetin dimethyl ether
  • Scoparon
  • Scoparone
  • UNII-H5841PDT4Y

Systematic Names

  • 6,7-Dimethoxy-2-benzopyrone
  • 6,7-Dimethoxy-2H-1-benzopyran-2-one
  • Benzopyran-2-one, 6,7-dimethoxy- (9CI)
  • Coumarin, 6,7-dimethoxy-

Registry Numbers

CAS Registry Number

  • 120-08-1

FDA UNII

  • H5841PDT4Y

System Generated Number

  • 0000120081

Structure Descriptors

InChI

1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3

InChIKey

GUAFOGOEJLSQBT-UHFFFAOYSA-N

Smiles

c12c(cc(OC)c(c1)OC)oc(=O)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg) BEHAVIORAL: ALTERATION OF CLASSICAL CONDITIONING

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Indian Journal of Medical Research. Vol. 60, Pg. 763, 1972.
mouse LD50 oral 280mg/kg (280mg/kg)   Drugs of the Future. Vol. 3, Pg. 550, 1978.
rat LD50 intraperitoneal 190mg/kg (190mg/kg)   Drugs of the Future. Vol. 3, Pg. 550, 1978.
rat LD50 oral 292mg/kg (292mg/kg)   Drugs of the Future. Vol. 3, Pg. 550, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 145.5 deg C   EXP
log P (octanol-water) 1.160 (none)   EST
Atmospheric OH Rate Constant 3.10E-11 cm3/molecule-sec 25 EST

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