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N-Methyl 4-Hydroxy Duloxetine

CAT: 0572-TRC-M312600-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M312600-100MGSize:100 mg
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CAS Number
1346601-61-3
Synonyms
4-[(1S)-3-(Dimethylamino)-1-(2-thienyl)propoxy]-1-naphthalenol;
Hazard Statement
No Data Available
Smiles
CN(C)CC[C@H](Oc1ccc(O)c2ccccc12)c3cccs3
Molecular Formula
C19H21NO2S
Molecular Weight
327.44
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Methyl 4-Hydroxy Duloxetine
CAS Number1346601-61-3
PubChem CID71750379
IUPAC Name4-[(1S)-3-(dimethylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-ol
Molecular FormulaC19H21NO2S
Molecular Weight327.4
XLogP4.4
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity365
SMILES
CN(C)CC[C@@H](C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)O
InChI
InChI=1S/C19H21NO2S/c1-20(2)12-11-18(19-8-5-13-23-19)22-17-10-9-16(21)14-6-3-4-7-15(14)17/h3-10,13,18,21H,11-12H2,1-2H3/t18-/m0/s1
InChIKey
SBXNRQCJTFEZJD-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl 4-Hydroxy Duloxetine
CAS: 1346601-61-3
CID: 71750379
Formula: C19H21NO2S
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass327.12930009
Monoisotopic Mass327.12930009
Topological Polar Surface Area60.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
016924N-Methyl 4-Hydroxy Duloxetine
0137114-Hydroxy Duloxetine
282402-01N-Methyl duloxetine
RM-D122409-01Duloxetine N-Methyl
CS-O-104754-Hydroxy Duloxetine Acetate
CS-T-781244-Hydroxy Duloxetine-d6
sc-2168584-Hydroxy Duloxetine-d3
AR-D02514-014-Hydroxy duloxetine glucuronide
T13790-01N-Methyl Duloxetine hydrochloride
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