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Ramelteon

CAT: 0957-S1259-02Size: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S1259-02Size:1 g
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Description
Ramelteon (TAK-375) is a novel melatonin receptor agonist for human MT1 and MT2 receptors and chick forebrain melatonin receptors with Ki of 14 pM, 112 pM and 23.1 pM, respectively.
CAS Number
196597-26-9
Synonyms
TAK-375
Target
MT Receptor
Activity
Neuronal Signaling
Molecular Formula
C16H21NO2
Storage Conditions
2 years -80 in solvent

Chemical Information

Ramelteon

N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide is a member of indanes.

CAS Number196597-26-9
PubChem CID208902
IUPAC NameN-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
Molecular FormulaC16H21NO2
Molecular Weight259.34
XLogP2.7
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity331
SMILES
CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3
InChI
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKey
YLXDSYKOBKBWJQ-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Ramelteon
CAS: 196597-26-9
CID: 208902
Formula: C16H21NO2
MW: 259.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.34
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass259.157228913
Monoisotopic Mass259.157228913
Topological Polar Surface Area38.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
319610Ramelteon

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