Flestolol

CAT: 0926-FF161469-03Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FF161469-03Size:5 g

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

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CAS Number

87721-62-8

MDL Number

MFCD00864580

Smiles

CC (C) (CNC (=O) N) NCC (COC (=O) C1=CC=CC=C1F) O

Molecular Formula

C15H22FN3O4

Molecular Weight

327.35 g/mol

Controlled

Chemical Information

Flestolol

short-acting beta blockader

CAS Number	87721-62-8
PubChem CID	55885
IUPAC Name	[3-[[1-(carbamoylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropyl] 2-fluorobenzoate
Molecular Formula	C15H22FN3O4
Molecular Weight	327.35
XLogP	0.2
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	406

SMILES

CC(C)(CNC(=O)N)NCC(COC(=O)C1=CC=CC=C1F)O

InChI

InChI=1S/C15H22FN3O4/c1-15(2,9-18-14(17)22)19-7-10(20)8-23-13(21)11-5-3-4-6-12(11)16/h3-6,10,19-20H,7-9H2,1-2H3,(H3,17,18,22)

InChIKey

ZPLOQFLCMVIWRY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87721-62-8

CID: 55885

Formula: C15H22FN3O4

MW: 327.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.35
XLogP3	0.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	327.15943435
Monoisotopic Mass	327.15943435
Topological Polar Surface Area	114 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	406
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