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Tasimelteon

CAT: 1596-AR-T01180-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01180-02Size:25 Units
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CAS Number
609799-22-6
Synonyms
N- (((1R,2R) -2- (2,3-dihydrobenzofuran-4-yl) cyclopropyl) methyl) propionamide; (1R-trans) -N-[[2- (2,3-Dihydro-4-benzofuranyl) cyclopropyl]methyl]propanamide; BMS 214778; MA 1; VEC 162; N-[[ (1R,2R) -2- (2,3-Dihydro-1-benzofuran-4-yl) cyclopropyl]methyl]propanamide
Molecular Formula
C15H19NO2
Molecular Weight
245.32
API Name
Tasimelteon

Chemical Information

Tasimelteon

Tasimelteon is a member of the class of 1-benzofurans that is propionamide in which one of the amide hydrogens is replaced by a [(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl group. A melatonin receptor agonist used for the treatment of non-24-hour sleep-wake disorder. It has a role as a melatonin receptor agonist. It is a monocarboxylic acid amide, a member of 1-benzofurans and a member of cyclopropanes. It is functionally related to a propionamide.

CAS Number609799-22-6
PubChem CID10220503
IUPAC NameN-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
Molecular FormulaC15H19NO2
Molecular Weight245.32
XLogP2.2
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity318
SMILES
CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2
InChI
InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKey
PTOIAAWZLUQTIO-GXFFZTMASA-N
Chemical Structure
2D Structure
2D structure of Tasimelteon
CAS: 609799-22-6
CID: 10220503
Formula: C15H19NO2
MW: 245.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.32
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass245.141578849
Monoisotopic Mass245.141578849
Topological Polar Surface Area38.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
7493/50Tasimelteon

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