Firazorexton

CAT: 0607-BA5665-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5665-1Size:1 mg

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CAS Number

2274802-95-6

Form

A solid

Molecular Formula

C22H25F3N2O4S

Molecular Weight

470.51

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Firazorexton

Firazorexton is under investigation in clinical trial NCT04096560 (A Study of TAK-994 in Adults With Type 1 and Type 2 Narcolepsy).

CAS Number	2274802-95-6
PubChem CID	137460733
IUPAC Name	N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
Molecular Formula	C22H25F3N2O4S
Molecular Weight	470.5
XLogP	2.9
Topological Polar Surface Area	95.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	766

SMILES

CC(C)(C(=O)N1CC[C@@H]([C@@H]1CC2=C(C(=CC=C2)C3=CC(=CC(=C3)F)F)F)NS(=O)(=O)C)O

InChI

InChI=1S/C22H25F3N2O4S/c1-22(2,29)21(28)27-8-7-18(26-32(3,30)31)19(27)11-13-5-4-6-17(20(13)25)14-9-15(23)12-16(24)10-14/h4-6,9-10,12,18-19,26,29H,7-8,11H2,1-3H3/t18-,19-/m0/s1

InChIKey

VOSAWOSMGPKQEQ-OALUTQOASA-N

Chemical Structure

2D Structure

CAS: 2274802-95-6

CID: 137460733

Formula: C22H25F3N2O4S

MW: 470.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	470.5
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	470.14871294
Monoisotopic Mass	470.14871294
Topological Polar Surface Area	95.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	766
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-137440-01	Firazorexton
T78636-01	Firazorexton hydrate
HY-137440A-01	Firazorexton (hydrate)
HY-137440B-01	(2R,3R) -Firazorexton
A24126-10	Firazorexton hydrate (TAK-994) 10mg
A24126-50	Firazorexton hydrate (TAK-994) 50mg
A24126-5	Firazorexton hydrate (TAK-994) 5mg
A24126-1	Firazorexton hydrate (TAK-994) 1mg
A24150-5	Firazorexton (TAK-994 free base) 5mg
A24150-50	Firazorexton (TAK-994 free base) 50mg

Firazorexton

Chemical Information

Alternative Products

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