Ramelteon

C₁₆H₂₁NO₂CAS 196597-26-9259.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₁NO₂
Molar mass: 259.35 g/mol
Exact mass: 259.1572 Da
Melting point: 113–115 °C
logP: 3.41Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

196597-26-9

SMILES

CCC(O)=NCC[C@@H]1CCc2ccc3c(c21)CCO3

InChIKey

YLXDSYKOBKBWJQ-LBPRGKRZSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Propanamide, N-[2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl]-
Propanamide, N-[2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]-, (S)-
N-[2-[(8S)-1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl]propanamide
TAK 375
(S)-N-[2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]propionamide
Rozerem
(S)-N-[2-(1,6,7,8-Tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide
Rozerm

Work with Ramelteon

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6,7,8-Tetrahydro-1H-indeno[5,4-B]furan-8-ylethylamine448964-37-254 % similar Tasimelteon609799-22-649 % similar 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one196597-78-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Propranolol525-66-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook