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Substance Name: Osthole
RN: 484-12-8
UNII: XH1TI1759C
InChIKey: MBRLOUHOWLUMFF-UHFFFAOYSA-N

Note

  • From Cnidium monnieri and Angelica pubescens (both Apiaceae).

Molecular Formula

  • C15-H16-O3

Molecular Weight

  • 244.288
 

Classification Codes

  • Adjuvants, Immunologic
  • Calcium Channel Blockers
  • Calcium-Regulating Hormones and Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Immunologic Factors
  • Membrane Transport Modulators
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Names and Synonyms

Name of Substance

  • Osthol
  • Osthole

Synonyms

  • 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin
  • 7-Methoxy-8-isopentenylcoumarin
  • 8-(3-Methyl-2-butenyl)herniarin
  • NSC 31868
  • Osthol
  • Osthole
  • Ostol
  • Ostole
  • UNII-XH1TI1759C

Systematic Names

  • 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI)
  • Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 484-12-8

FDA UNII

  • XH1TI1759C

Other Registry Number

  • 1440642-68-1

System Generated Number

  • 0000484128

Structure Descriptors

InChI

1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3

InChIKey

MBRLOUHOWLUMFF-UHFFFAOYSA-N

Smiles

c12c(c(ccc1ccc(o2)=O)OC)C\C=C(/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD intravenous > 40mg/kg (40mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 150, Pg. 425, 1964.
guinea pig LD oral > 1gm/kg (1000mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 150, Pg. 425, 1964.
mouse LD50 intraperitoneal 190mg/kg (190mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Indian Journal of Medical Research. Vol. 55, Pg. 241, 1967.
mouse LD50 subcutaneous 16mg/kg (16mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 331, 1977.
rabbit LD subcutaneous > 70mg/kg (70mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 400, 1962.
rabbit LDLo intravenous 25mg/kg (25mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 138, Pg. 400, 1962.
rat LD50 intraperitoneal 600mg/kg (600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Indian Journal of Medical Research. Vol. 55, Pg. 241, 1967.
rat LD50 oral 2905mg/kg (2905mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Indian Journal of Medical Research. Vol. 55, Pg. 241, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83.5 deg C   EXP
log P (octanol-water) 3.950 (none)   EST
Water Solubility 12 mg/L 30 EXP
Atmospheric OH Rate Constant 1.26E-10 cm3/molecule-sec 25 EST

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