1,1,1-Trifluoro-3-hexylselinyl-propan-2-one

ID: ALA155514

Chembl Id: CHEMBL155514

PubChem CID: 44367921

Max Phase: Preclinical

Molecular Formula: C9H15F3O2Se

Molecular Weight: 291.17

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCCCCC[Se](=O)CC(=O)C(F)(F)F

Standard InChI:  InChI=1S/C9H15F3O2Se/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3

Standard InChI Key:  QTOSDEKHSYHUAT-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA155514

   1,1,1-Trifluoro-3-hexylseleninylpropan-2-one

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 291.17

Molecular Weight (Monoisotopic): 292.0189

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References

1. Wheelock CE, Colvin ME, Uemura I, Olmstead MM, Sanborn JR, Nakagawa Y, Jones AD, Hammock BD..  (2002)  Use of ab initio calculations to predict the biological potency of carboxylesterase inhibitors.,  45  (25): [PMID:12459025] [10.1021/jm020072w]

Source

Source(1):

• Scientific Literature