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Seratrodast
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Name

Seratrodast

 EINECS 692-169-8
CAS No. 112665-43-7 Density 1.14 g/cm3
PSA 71.44000 LogP 4.61000
Solubility N/A Melting Point 118-120 °C
Formula C22H26O4 Boiling Point 522.3 °C at 760 mmHg
Molecular Weight 354.446 Flash Point 283.8 °C
Transport Information N/A Appearance pale orange solid
Safety Risk Codes R36/37/38
Molecular Structure Molecular Structure of 112665-43-7 (Seratrodast) Hazard Symbols Xi
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;

Article Data 8

Seratrodast Synthetic route

4537-09-1

1,4-dimethoxy-2,3,5-trimethyl-benzene

C13H19NO2

112665-43-7

seratrodast

Conditions
ConditionsYield
Stage #1: 1,4-dimethoxy-2,3,5-trimethyl-benzene; C13H19NO2 With sodium nitrate; aluminum isopropoxide at 47℃; for 2h;
Stage #2: With dipotassium peroxodisulfate; sodium sulfate at 55℃; for 0.833333h;
Stage #3: With niobium(V) oxide for 3.6h; Temperature;		99.2%
potassium nitrosodisulfonate (Fremy's salt)

potassium nitrosodisulfonate (Fremy's salt)

148989-82-6

7-(2-hydroxy-3,4,6-trimethylphenyl)-7-phenylheptanoic acid

112665-43-7

seratrodast

Conditions
ConditionsYield
With ammonium hydroxide In water; acetonitrile94.1%
700-13-0

Trimethylhydroquinone

109-63-7

boron trifluoride diethyl etherate

103187-18-4

7-hydroxy-7-phenylheptanoic acid

112665-43-7

seratrodast

Conditions
ConditionsYield
With iron(III) chloride In tetrahydrofuran; water; toluene73%
935-92-2

2,3,5-Trimethyl-1,4-benzoquinone

phenyl-2-oxocanone

112665-43-7

seratrodast

Conditions
ConditionsYield
Stage #1: 2,3,5-Trimethyl-1,4-benzoquinone; phenyl-2-oxocanone With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate at 20℃; for 0.5h;
Stage #2: With hafnium tetrakis(trifluoromethanesulfonate) at 40℃; for 6h;		46%
148989-73-5

7-(2,5-Dihydroxy-3,4,6-trimethyl-phenyl)-7-phenyl-heptanoic acid

112665-43-7

seratrodast

Conditions
ConditionsYield
With iron(III) chloride In tetrahydrofuran for 0.5h; Ambient temperature; Yield given;
With iron(III) chloride In tetrahydrofuran at 25℃; for 0.5h; Inert atmosphere;
14794-32-2

ethyl 6-(chloroformyl)hexanoate

112665-43-7

seratrodast

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: AlCl3 / 2 h / 90 °C
2: NaBH4 / methanol / 0.5 h / 0 °C
3: 95 percent / 2.5 N NaOH / tetrahydrofuran / 3 h / 70 °C
4: boron trifluoride etherate / toluene / 2 h / 60 °C
5: aq. FeCl3 / tetrahydrofuran / 0.5 h / Ambient temperature
View Scheme
33018-91-6

7-ethoxy-7-oxoheptanoic acid

112665-43-7

seratrodast

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 98 percent / SOCl2 / CH2Cl2 / 2 h / 50 °C
2: AlCl3 / 2 h / 90 °C
3: NaBH4 / methanol / 0.5 h / 0 °C
4: 95 percent / 2.5 N NaOH / tetrahydrofuran / 3 h / 70 °C
5: boron trifluoride etherate / toluene / 2 h / 60 °C
6: aq. FeCl3 / tetrahydrofuran / 0.5 h / Ambient temperature
View Scheme
112665-41-5

ethyl 7-oxo-7-phenylheptanoate

112665-43-7

seratrodast

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: NaBH4 / methanol / 0.5 h / 0 °C
2: 95 percent / 2.5 N NaOH / tetrahydrofuran / 3 h / 70 °C
3: boron trifluoride etherate / toluene / 2 h / 60 °C
4: aq. FeCl3 / tetrahydrofuran / 0.5 h / Ambient temperature
View Scheme
112665-42-6

7-hydroxy-7-phenyl-heptanoic acid ethyl ester

112665-43-7

seratrodast

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 95 percent / 2.5 N NaOH / tetrahydrofuran / 3 h / 70 °C
2: boron trifluoride etherate / toluene / 2 h / 60 °C
3: aq. FeCl3 / tetrahydrofuran / 0.5 h / Ambient temperature
View Scheme
103187-18-4

7-hydroxy-7-phenylheptanoic acid

112665-43-7

seratrodast

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: boron trifluoride etherate / toluene / 2 h / 60 °C
2: aq. FeCl3 / tetrahydrofuran / 0.5 h / Ambient temperature
View Scheme

Seratrodast Chemical Properties

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

Seratrodast Uses

 Seratrodast (CAS NO.112665-43-7) is a thromboxane receptor antagonist used primarily in the treatment of asthma.

Seratrodast 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.

Seratrodast 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.

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