Duloxetine hydrochloride
Properties
- Molecular formula
- C18H20ClNOS
- Molar mass
- 333.87 g/mol
- Exact mass
- 333.0954 Da
- Melting point
- 165–171 °C
- logP
- 5.05Crippen estimate
- Polar surface area
- 21.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 6
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H301 Toxic if swallowed15.2% of notifiers
- H302 Harmful if swallowed81.8% of notifiers
- H318 Causes serious eye damage33.3% of notifiers
- H400 Very toxic to aquatic life16.7% of notifiers
- H410 Very toxic to aquatic life with long lasting effects18.2% of notifiers
Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P354+P338, P317, P321, P330, P391, P405, P501
Identifiers
CAS number
136434-34-9SMILES
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.ClInChIKey
BFFSMCNJSOPUAY-LMOVPXPDSA-NInChI
InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- 2-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, hydrochloride (1:1), (γS)-
- 2-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, hydrochloride, (S)-
- 2-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, hydrochloride, (γS)-
- LY 248686 HCl
- (S)-(+)-N-Methyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine hydrochloride
- Cymbalta
- (S)-Duloxetine hydrochloride
- (S)-(+)-Duloxetine hydrochloride
- Dulane 20
- (S)-γ-(1-Naphthalenoxy)-N-methylthiophene-2-propanamine monohydrochloride
- (S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine hydrochloride
- Yentreve
- Irenka
- Drizalma sprinkle
Work with Duloxetine hydrochloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine132335-46-765 % similar
(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate132335-47-855 % similar
Atomoxetine hydrochloride82248-59-747 % similar
(αS)-α-[2-(Methylamino)ethyl]-2-thiophenemethanol116539-55-045 % similar
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol949095-98-144 % similar
N-Methyl-N-naphthylmethylamine hydrochloride65473-13-442 % similar
Atomoxetine83015-26-342 % similar
(-)-Fluoxetine hydrochloride114247-09-537 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.