Cas no 917482-45-2 ((S)-Citalopram N-Oxide)

(S)-Citalopram N-Oxide structure

Product Name:(S)-Citalopram N-Oxide

CAS No:917482-45-2

MF:C₂₀H₂₁FN₂O₂

MW:340.391348600388

CID:997217

PubChem ID:15987231

Update Time:2025-04-20

(S)-Citalopram N-Oxide Chemical and Physical Properties

Names and Identifiers

- (S)-Citalopram N-Oxide
- 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide
- (S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile N1-Oxide
- (S)-1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile
- Escitalopram-N-Oxide
- Escitalopram N-Oxide
- 5-Isobenzofurancarbonitrile, 1-(3-(dimethyloxidoamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-
- 3-[(1S)-5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine N-oxide
- 917482-45-2
- (S)-1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro -5-isobenzofurancarbonitrile
- (S)-3-(5-Cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine oxide
- 3-((1S)-5-Cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl)-N,N-dimethyl-propan-1-amine oxide
- (1S)-1-(3-(Dimethyloxidoamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile
- JMR4KG3QUN
- UNII-JMR4KG3QUN
- (1S)-1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dhydro-5-isobenzofurancarbonitrile; Escitalopram N-Oxide; (S)-Citalopram N-Oxide; Escitalopram Oxalate Impurity H as (S)-Enantiomer; Escitalopram Impurity H as (S)-Enantiomer
- DTXSID60580934
- Inchi： 1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
- InChI Key： DIOGFDCEWUUSBQ-FQEVSTJZSA-N
- SMILES： FC1C=CC(=CC=1)[C@]1(C2C=CC(C#N)=CC=2CO1)CCC[N+](C)(C)[O-]

Computed Properties

Exact Mass: 340.15900
Monoisotopic Mass: 340.15870608g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 25
Rotatable Bond Count: 5
Complexity: 509
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.7
Topological Polar Surface Area: 51.1?2

Experimental Properties

PSA: 62.45000
LogP: 3.84648

(S)-Citalopram N-Oxide Pricemore >>

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