Fipamezole

CAT: 0127-BUP06814-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06814-01Size:1 mg

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

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CAS Number

150586-58-6

Synonyms

JP-1730, BVF-025, JP 1730, JP1730

Purity

=98%

Smiles

C(C)C1(CC=2C(C1)=CC=C(F)C2)C3=CN=CN3

Chemical Information

Fipamezole

an alpha2 adrenergic antagonist

CAS Number	150586-58-6
PubChem CID	213041
IUPAC Name	5-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)-1H-imidazole
Molecular Formula	C14H15FN2
Molecular Weight	230.28
XLogP	3.1
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	283

SMILES

CCC1(CC2=C(C1)C=C(C=C2)F)C3=CN=CN3

InChI

InChI=1S/C14H15FN2/c1-2-14(13-8-16-9-17-13)6-10-3-4-12(15)5-11(10)7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)

InChIKey

KXSUAWAUCNFBQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150586-58-6

CID: 213041

Formula: C14H15FN2

MW: 230.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.28
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	230.12192665
Monoisotopic Mass	230.12192665
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	283
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