Ramelteon

CAT: 0127-OR1025624-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1025624-02Size:250 mg

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

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CAS Number

196597-26-9

Synonyms

N-[2-[ (8S) -2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

Purity

98%

Smiles

CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3

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 Number	196597-26-9
PubChem CID	208902
IUPAC Name	N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
Molecular Formula	C16H21NO2
Molecular Weight	259.34
XLogP	2.7
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	331

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

CAS: 196597-26-9

CID: 208902

Formula: C16H21NO2

MW: 259.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.34
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	259.157228913
Monoisotopic Mass	259.157228913
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
319610	Ramelteon