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Seratrodast

Seratrodast structure

CAS No:
112665-43-7
Formula:
C22H26O4
Chemical Name:
Seratrodast
Synonyms:
Benzeneheptanoic acid,ζ-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-;Benzeneheptanoic acid,ζ-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-,(±)-;ζ-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic acid;AA 2414;(±)-2,4,5-Trimethyl-3,6-dioxo-ζ-phenyl-1,4-cyclohexadiene-1-heptanoic acid;Seratrodast;ABT 001;A 73001;Abbott 73001;7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid;Seratodrast;Bronica;7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid;103186-19-2
Categories:
Active Pharmaceutical Ingredients > Respiratory Drugs

Description

Pale Orange SolidSeratrodast, a novel benzoquinone derivative, is the first thromboxane A2(TxA2) receptor antagonist to reach the market. It is orally active for the treatment of bronchospastic disorders such as asthma. TxA2, a metabolite of the arachidonate cascade, is involved in several cardiovascular and respiratory diseases through its potent biological effects on platelet aggregation and constriction of vascular and respiratory smooth muscles.

Seratrodast is an organic molecular entity.|Seratrodast (INN) is a thromboxane receptor antagonist used primarily in the treatment of asthma.

Seratrodast Basic Attributes

Molecular Weight：

354.44

Exact Mass：

354.44

EC Number：

1312995-182-4

NSC Number：

759640

DSSTox ID：

DTXSID4021397

ATC Code：

R - Respiratory system

HScode：

29309070

Characteristics

PSA：

71.4

XLogP3：

4.4

Density：

1.140±0.06 g/cm3(Predicted)

Melting Point：

128-129 °C

Boiling Point：

522.3±49.0 °C(Predicted)

Flash Point：

283.8±26.3 °C

Refractive Index：

1.555

Storage Conditions：

Store at +4°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

6.1

safety instructions：

S26-S24/25

RTECS Number：

DA1600050

Marks：

Precautionary statement(s)：

P201-P308 + P313

Hazard Statements：

H361d

GHS Classification：

|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Drugs that are used to treat asthma. (See all compounds classified as Anti-Asthmatic Agents.)|Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions.They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)|Compounds that inhibit the action of prostaglandins. (See all compounds classified as Prostaglandin Antagonists.)

Metabolism/Metabolites：

Seratrodast has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoyl]oxyoxane-2-carboxylic acid.

MeSH Entry Terms：

7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid

Seratrodast Use and Manufacturing

antibacterial.Prothrombin A2 antagonist. Used to treat asthma. Used as an antiasthmatic

Computed Properties

Molecular Weight:354.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:354.18310931
Monoisotopic Mass:354.18310931
Topological Polar Surface Area:71.4
Heavy Atom Count:26
Complexity:633
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

Extract from the above information

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

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Registered Holders

Nanjing Pharmaceutical FACTORY Co., Ltd.

China
Active
Changzhou Watson Pharmaceuticals Co., Ltd.

China
Active
Shandong Lukang Pharmaceutical Co., Ltd.

China
Active