PF-03654764

CAT: 0607-BA5433-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5433-1Size:1 mg

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

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CAS Number

935840-35-0

Form

A solid

Molecular Formula

C20H28F2N2O

Molecular Weight

350.45

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

H3 receptor antagonist 1

PF-03654764 has been used in trials studying the basic science and treatment of Allergic Rhinitis.

CAS Number	935840-35-0
PubChem CID	16119082
IUPAC Name	3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
Molecular Formula	C20H28F2N2O
Molecular Weight	350.4
XLogP	3.4
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	459

SMILES

CC(C)CNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F

InChI

InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)

InChIKey

DJRDLCHHQYHQQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 935840-35-0

CID: 16119082

Formula: C20H28F2N2O

MW: 350.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	350.21696985
Monoisotopic Mass	350.21696985
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	459
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes