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Basic Information
CAS No.: 136434-34-9
Name: Duloxetine hydrochloride
Article Data: 59
Molecular Structure:
Molecular Structure of 136434-34-9 (Duloxetine hydrochloride)
Formula: C18H19NOS.HCl
Molecular Weight: 333.882
Synonyms: (S)-Duloxetine hydrochloride;Cymbalta;LY 248686 HCl;Duloxetine Hcl;2-Thiophenepropanamine,N-methyl-g-(1-naphthalenyloxy)-, hydrochloride,(S)-;2-Thiophenepropanamine, N-methyl-g-(1-naphthalenyloxy)-, hydrochloride, (gS)- (9CI);(S)-(+)-Duloxetine hydrochloride;(S)-(+)-N-Methyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine hydrochloride;
EINECS: 200-659-6
Melting Point: 118-122 °C
Boiling Point: 466.2 °C at 760 mmHg
Flash Point: 235.7 °C
Appearance: White or white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 49.50000
LogP: 5.82380
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90-15-3
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Chemistry

Product Name: Duloxetine hydrochloride (CAS NO.136434-34-9)

Molecular Formula: C18H20ClNOS
Molecular Weight: 333.88g/mol
Mol File: 136434-34-9.mol
Appearance: White Crystalline Solid
Melting Point: 118-122°C
Boiling point: 466.2 °C at 760 mmHg
Flash Point: 235.7 °C
Enthalpy of Vaporization:   72.79 kJ/mol 
Vapour Pressure: 7.23E-0.9 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of Duloxetine hydrochloride (CAS NO.136434-34-9):
  IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-aminehydrochloride
  Canonical SMILES: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl
  Isomeric SMILES: CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl
  InChI: 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./s1 
  InChIKey: BFFSMCNJSOPUAY-LMOVPXPDSA-N
Product Categories: APIs; Intermediates & Fine Chemicals; Pharmaceuticals; Isotope Labeled Compounds; Duloxetine

Uses

 Duloxetine hydrochloride (CAS NO.136434-34-9) is a kind of antidepressant drug.

Safety Profile

Safety Information of Duloxetine hydrochloride (CAS NO.136434-34-9):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38  
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.

Specification

 Duloxetine hydrochloride , its CAS NO. is 136434-34-9, the synonyms are (+)-(S)-N-Methyl-gamma-(1-naphthyloxy)-2-
thiophenepropylamine hydrochloride ; 2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, hydrochloride, (S)- ; Cymbalta ; Duloxetine HCl .