Rac Ramelteon-d3

CAT: 0024-sc-219876Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-219876Size:1 mg

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

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CAS Number

1185146-24-0

Chemical Information

rac Ramelteon-d3

CAS Number	1185146-24-0
PubChem CID	45040332
IUPAC Name	3,3,3-trideuterio-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
Molecular Formula	C16H21NO2
Molecular Weight	262.36
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

[2H]C([2H])([2H])CC(=O)NCCC1CCC2=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)/i1D3

InChIKey

YLXDSYKOBKBWJQ-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1185146-24-0

CID: 45040332

Formula: C16H21NO2

MW: 262.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.36
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	262.176059150
Monoisotopic Mass	262.176059150
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	331
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-R131252-01	Ramelteon-D3
TRC-R110052-10MG	rac Ramelteon-d3
TMIH-0356-01	Monohydroxylated ramelteon (II) -d3
HY-103005S-01	Ramelteon metabolite M-II-d3
319610	Ramelteon