Basic information
- Name:
Seratrodast
- CAS No.:
112665-43-7
- Molecular Structure:
- Formula:
- C22H26O4
- Molecular Weight:
- 354.44
- Deleted CAS:
- 103186-19-2
- Synonyms:
- Benzeneheptanoicacid, z-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-,(?à)-;7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid;A 73001;AA 2414;ABT 001;Abbott 73001;Bronica;
- Density:
- 1.14 g/cm3
- Melting Point:
- 118-120 °C
- Boiling Point:
- 522.3 °C at 760 mmHg
- Flash Point:
- 283.8 °C
- Appearance:
- pale orange solid
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Chemistry
Molecular structure of Seratrodast (CAS NO.112665-43-7) is:
Product Name: Seratrodast
CAS Registry Number: 112665-43-7
IUPAC Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Molecular Weight: 354.43944 [g/mol]
Molecular Formula: C22H26O4
XLogP3-AA: 4.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Melting point: 118-120 °C
Density: 1.14 g/cm3
Flash Point: 283.8 °C
Enthalpy of Vaporization: 83.77 kJ/mol
Boiling Point: 522.3 °C at 760 mmHg
Vapour Pressure: 9.74E-12 mmHg at 25°C
Surface Tension: 45.2 dyne/cm
Other Registry Number: 103186-19-2
Product Categories: API;Heterocyclic Compounds;Intermediates & Fine Chemicals;Pharmaceuticals
Uses
Seratrodast (CAS NO.112665-43-7) is a thromboxane receptor antagonist used primarily in the treatment of asthma.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| monkey | LD | oral | > 2gm/kg (2000mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 38, Pg. 394, 1996. |
| mouse | LD50 | intraperitoneal | 1100mg/kg (1100mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. | |
| mouse | LD50 | oral | 1520mg/kg (1520mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. | |
| mouse | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. | |
| rat | LD50 | intraperitoneal | 1350mg/kg (1350mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. | |
| rat | LD50 | oral | 3750mg/kg (3750mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. | |
| rat | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. |
Specification
Seratrodast , its cas register number is 112665-43-7. It also can be called (+-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid ; (+-)-2,4,5-Trimethyl-3,6-dioxo-zeta-phenyl-1,4-cyclohexadiene-1-heptanoic acid ; Benzeneheptanoic acid, zeta-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (+-)- .It is a pale orange solid.