Basic information
- Name:
Osthole
- CAS No.:
484-12-8
- Molecular Structure:
- Formula:
- C15H16O3
- Molecular Weight:
- 244.29
- Synonyms:
- 8-(3-Methyl-2-butenyl)herniarin;2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-;7-Methoxy-8-isopentenylcoumarin;7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one;Coumarin, 7-methoxy-8- (3-methyl-2-butenyl)-;2H-1-Benzopyran-2-one,7-methoxy-8-(3- methyl-2-butenyl)-;Ostol;Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-;Cnidium monnieri P.E.- Osthole;Common Cnidium Fruit P. E.;Fructus Cnidii;
- Density:
- 1.126 g/cm3
- Melting Point:
- 83-84 °C
- Boiling Point:
- 396.7 °C at 760 mmHg
- Flash Point:
- 167.6 °C
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Chemistry
IUPAC Name: 7-Methoxy-8-(3-methylbut-2-enyl)chromen-2-one
Following is the structure of Osthole (CAS NO.484-12-8):
Empirical Formula: C15H16O3
Molecular Weight: 244.2857 g/mol
Index of Refraction: 1.556
Molar Refractivity: 69.79 cm3
Molar Volume: 216.8 cm3
Density: 1.126 g/cm3
Flash Point: 167.6 °C
Melting point: 83-84 °C
Surface Tension: 40.3 dyne/cm
Enthalpy of Vaporization: 64.71 kJ/mol
Boiling Point: 396.7 °C at 760 mmHg
Vapour Pressure of Osthole (CAS NO.484-12-8): 1.67E-06 mmHg at 25 °C
Product Categories of Osthole (CAS NO.484-12-8): Standard extract; Natural Plant Extract; Steroids
Water Solubility of Osthole (CAS NO.484-12-8): 12 mg/L at 30 °C
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
InChI: 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
Toxicity Data With Reference
| 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) | 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. |
| 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) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | 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) | 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. |
Specification
Osthole , its cas register number is 484-12-8. It also can be called 7-Methoxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one ; 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin ; 7-Methoxy-8-isopentenylcoumarin ; and 8-(3-Methyl-2-butenyl)herniarin . Adjuvants, immunologic; Calcium channel blockers; Cardiovascular Agents; Drug / Therapeutic Agent; Immunologic Factors and Membrane Transport Modulators.