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Citalopram N-oxide

CAT: 0926-FC20463-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FC20463-01Size:1 mg
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CAS Number
63284-72-0
Synonyms
1-[3- (Dimethyloxidoamino) propyl]-1- (4-fluorophenyl) -1,3-dihydro-5-isobenzofurancarbonitrile;1-[3- (Dimethylamino) propyl]-1- (4-fluorop henyl) -1,3-dihydro-5-isobenzofurancarbonitrile N1-oxide; Lu 11-305
Smiles
C[N+] (C) (CCCC1 (C2=C (CO1) C=C (C=C2) C#N) C3=CC=C (C=C3) F) [O-]
Molecular Formula
C20H21FN2O2
Molecular Weight
340.39 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Citalopram N-oxide

Citalopram N-oxide is a member of benzenes and an organic amino compound.

CAS Number63284-72-0
PubChem CID10068142
IUPAC Name3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide
Molecular FormulaC20H21FN2O2
Molecular Weight340.4
XLogP2.7
Topological Polar Surface Area51.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity509
SMILES
C[N+](C)(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-]
InChI
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
InChIKey
DIOGFDCEWUUSBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Citalopram N-oxide
CAS: 63284-72-0
CID: 10068142
Formula: C20H21FN2O2
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass340.15870608
Monoisotopic Mass340.15870608
Topological Polar Surface Area51.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
268607-01Citalopram N-oxide
CS-T-51157(R) -Citalopram N-Oxide
TRC-C505045-2.5MG(S)-Citalopram N-Oxide
444794-01Citalopram N-Oxide Hydrochloride
CS-T-51159(S) -Citalopram N-Oxide
268606-01S-Citalopram N-oxide
MBS6032285-01Citalopram Cyano N-Oxide
AR-C07729-01Citalopram-d4 N-Oxide
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