WIN 35428

CAT: 0926-FF102297-03Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-FF102297-03Size:1000 mg

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

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CAS Number

50370-56-4

Synonyms

(1R,2S,3S,5S) -3- (4-Fluorophenyl) -8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

MDL Number

MFCD02683994

Smiles

CN1[C@H]2CC[C@@H]1[C@H] ([C@H] (C2) C3=CC=C (C=C3) F) C (=O) OC

Molecular Formula

C16H20FNO2

Molecular Weight

277.33 g/mol

Controlled

Yes

Chemical Information

Win 35428

WIN-35428 is an organic molecular entity. It has a role as a dopamine uptake inhibitor.

CAS Number	50370-56-4
PubChem CID	105056
IUPAC Name	methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Formula	C16H20FNO2
Molecular Weight	277.33
XLogP	2.7
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	367

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1

InChIKey

QUSLQENMLDRCTO-YJNKXOJESA-N

Chemical Structure

2D Structure

CAS: 50370-56-4

CID: 105056

Formula: C16H20FNO2

MW: 277.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.33
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	277.14780704
Monoisotopic Mass	277.14780704
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes