Seratrodast (AA-2414)

CAT: 1568-C16624-25mgSize: 25 mgDry Ice: YesHazardous: No

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CAT#:1568-C16624-25mgSize:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

112665-43-7

Synonyms

ABT-001

Target

Prostaglandin Receptor

Applications

GPCR & G Protein

Smiles

CC1=C (C (=O) C (=C (C1=O) C) C (CCCCCC (=O) O) C2=CC=CC=C2) C

Molecular Formula

C22H26O4

Additionnal Information

Seratrodast (AA-2414, ABT-001) is a potent and selective thromboxane A2 receptor (TP) antagonist which is used primarily in the treatment of asthma and used as anti-inflammatory agent.

Storage Conditions

2 years -80 in solvent

Chemical Information

Seratrodast

Seratrodast is an organic molecular entity.

CAS Number	112665-43-7
PubChem CID	2449
IUPAC Name	7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Molecular Formula	C22H26O4
Molecular Weight	354.4
XLogP	4.4
Topological Polar Surface Area	71.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	633

SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)

InChIKey

ZBVKEHDGYSLCCC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112665-43-7

CID: 2449

Formula: C22H26O4

MW: 354.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	633
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS132045-01	Seratrodast AA 2414
S2072-01	Seratrodast (AA-2414)
S0970	Seratrodast ((±) -7- (3,5,6-Trimethyl-1,4-benzoquinon-2-yl) -7-phenylheptanoic Acid, AA-2414, _x000B_Abbott 73001, Bronica)
MBS6116986-01	Seratrodast ((+/-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic Acid, AA-2414, Abbott 73001, Bronica)
254498-01	AA 2414
C3706-25	Seratrodast
A18134-200	Seratrodast 200mg
A18134-50	Seratrodast 50mg
HY-B0774R-01	Seratrodast (Standard)
A18134-25	Seratrodast 25mg

Seratrodast (AA-2414)

Chemical Information

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